Entanglement of Electron Spin and Orbital States in Spintronic Quantum Transport

合集下载

单层vcl3和vbr3中相互作用导致的量子反常霍尔绝缘体到莫特绝缘体相变

单层vcl3和vbr3中相互作用导致的量子反常霍尔绝缘体到莫特绝缘体相变

单层vcl3和vbr3中相互作用导致的量子反常霍尔绝缘体到莫特绝缘体相变单层VCL3和VBR3中相互作用导致的量子反常霍尔绝缘体到莫特绝缘体相变引言:随着量子材料领域的发展,人们对量子相变现象的研究越来越深入。

其中一个备受关注的研究方向是单层二维材料中的相变现象。

在这篇文章中,我们将探讨单层VCL3和VBR3中相互作用导致的量子反常霍尔绝缘体到莫特绝缘体相变现象。

1. 量子反常霍尔绝缘体和莫特绝缘体的基本概念在开始探讨这一相变现象之前,我们首先需要了解量子反常霍尔绝缘体和莫特绝缘体的基本概念。

1.1 量子反常霍尔绝缘体量子反常霍尔效应是二维体系中的一种电导性现象。

在传统霍尔效应中,当外加磁场作用于二维电子气时,霍尔电导会出现霍尔台阶。

而在量子反常霍尔效应中,电导在某些磁场值下呈现为准连续的变化,这被称为量子反常霍尔电导。

1.2 莫特绝缘体莫特绝缘体是一种由电子间相互作用引起的绝缘体态。

在莫特绝缘体中,存在着宏观观测尺度上的电荷局域化现象,导致电荷在材料中无法自由移动,从而使得材料呈现绝缘体性质。

2. 单层VCL3和VBR3中的相互作用单层VCL3和VBR3是近年来备受研究者关注的二维材料。

这两种材料具有特殊的电子结构和电子间相互作用,可以在特定条件下发生相变现象。

2.1 VCL3中的相互作用在单层VCL3中,电子之间存在着库伦相互作用。

这种相互作用会导致电荷在材料中的局域化现象,从而使得VCL3呈现绝缘体性质。

VCL3中的自旋-轨道耦合也会影响电子的状态,并对相变现象产生影响。

2.2 VBR3中的相互作用类似于VCL3,VBR3中也存在着电子的相互作用。

这些相互作用可以引发电子的局域化和自旋-轨道耦合效应,从而导致VBR3呈现绝缘体性质。

3. 单层VCL3和VBR3中的相变现象基于以上对VCL3和VBR3中相互作用的讨论,我们可以借此探讨量子反常霍尔绝缘体到莫特绝缘体相变现象。

3.1 相变的起因在一定的温度和磁场条件下,VCL3和VBR3中的电子相互作用会发生变化。

定量电子显微学方法与氧化钛纳米结构研究获国家自然科学二等奖

定量电子显微学方法与氧化钛纳米结构研究获国家自然科学二等奖
据 介 绍 , 包 括 美 国 、 H本 、 欧 盟 、俄 罗 斯 在 内的 5 0多 拓 宽 , 释 许 多传 统 理 论 无 法 描 述 的物 质 体 系 , 且 将 理 论 解 并
个 国家 和地 区都有 各 自明确 的纳 米 科技 发展 战略 ,投入 巨 成果 成功 应用 到纳米 结构 的研究 领域 。 在 科 学 家 眼 中 ,食 盐 不 是 食 盐 , 而 是 一 种 典 型 的 离 子 资 、抢 占战略制 高点 。美 国国家 纳米讨‘ ( 划 NN I)2 1 01 晶体 。 么一种 最最普 通的东 西 , 电子显微 镜去观 察它 的 这 用 年 财 政 预 算 l 美 元 ,历 年 投 入 稳 定 增 长 。 日本 尤 其 重 视 8亿 结构 时 ,也 没有 好的理 论去 描述 电子在 这种 离子 晶体 表面 纳 米技术在信 息 、金 属 、环境 、能源 、生命 科学 以及基础 技 的衍 射现 象 。彭 练矛 团 队给 出了描 述诸 如离 子 晶体表 面衍
仿 生智 能纳 米界 面材料 、碳纳 米管 宏观 薄膜 及纤 维结 构 的 贝 尔 物 理 学 奖 就 颁 发 给 了 成 功 地 分 离 出 单 层 石 墨 烯 材 料 的
制备与 性 能研究 、纳 米结 构金 属材 料达 到高 性 能极 限等诸 两 名 英 国 物 理 学 家 。
多 方面取得 突破 。
像 科 技 研 发 和 产 业 化 的 整 体 协 调 。同 时 , 入 并 持 续 开 展 纳 米 重 ,多 数 情 况 下 我 们 在 电 子 显 微 镜 中所 看 到 的 ‘ ’不 能 直 深 接反 映物体 的真正结 构 。 练矛 说 , 用量 子力学 的原理 , ”彭 利 科技领 域战 略研 究 ,提高 决策 能力 ;整合资 源 ,形成在纳 米

《声子散射下纤锌矿AlGaN多层异质结构中电子的迁移率》范文

《声子散射下纤锌矿AlGaN多层异质结构中电子的迁移率》范文

《声子散射下纤锌矿AlGaN多层异质结构中电子的迁移率》篇一一、引言随着半导体技术的飞速发展,纤锌矿AlGaN多层异质结构因其独特的物理和化学性质,在光电子器件、高温大功率电子器件等领域有着广泛的应用前景。

其中,电子的迁移率作为衡量材料导电性能的重要参数,直接关系到器件的电学性能和稳定性。

本文将重点研究声子散射下纤锌矿AlGaN多层异质结构中电子的迁移率,探讨其影响因素及调控方法。

二、纤锌矿AlGaN多层异质结构概述纤锌矿AlGaN是一种重要的半导体材料,具有优良的物理和化学性质。

其多层异质结构由不同Al组分的AlGaN层交替构成,具有丰富的能带结构和能级分布。

这种特殊的结构使得电子在传输过程中受到多种散射机制的影响,其中声子散射是一种重要的散射机制。

三、声子散射对电子迁移率的影响声子散射是指电子与晶格振动产生的声子之间的相互作用。

在纤锌矿AlGaN多层异质结构中,声子散射对电子的迁移率产生显著影响。

当电子在材料中传输时,会与晶格振动产生的声子发生碰撞,导致电子动量的改变,从而影响其迁移率。

此外,不同Al组分的AlGaN层之间的界面也会对声子散射产生影响,进而影响电子的迁移率。

四、电子迁移率的计算与分析为了研究声子散射下纤锌矿AlGaN多层异质结构中电子的迁移率,我们采用了量子力学和固态物理的理论框架,结合第一性原理计算方法,对材料的能带结构、电子态密度等进行了计算。

在此基础上,我们进一步计算了不同条件下的电子迁移率,并对其进行了分析。

结果表明,声子散射对电子的迁移率具有显著的抑制作用。

随着声子散射强度的增加,电子的迁移率逐渐降低。

此外,不同Al组分的AlGaN层之间的界面也会对电子的迁移率产生影响。

在界面处,由于能带弯曲和能级错配等因素,电子的传输受到阻碍,从而导致迁移率的降低。

然而,通过优化材料的结构和成分,可以有效降低声子散射的影响,提高电子的迁移率。

五、调控方法与实验验证为了进一步提高纤锌矿AlGaN多层异质结构中电子的迁移率,我们提出以下调控方法:1. 通过优化材料的生长条件,减少晶格缺陷和界面处的能级错配,降低声子散射的影响。

钛掺杂氧化镁薄膜二次电子发射倍增特性研究

钛掺杂氧化镁薄膜二次电子发射倍增特性研究

钛掺杂氧化镁薄膜二次电子发射倍增特性研究崔乃元,王思展,王志浩,刘宇明,李 蔓,王 璐(北京卫星环境工程研究所,北京 100094)摘要:氧化镁具有较高的二次电子发射系数,适合作为制备多级放大装置的二次电子发射材料。

文章采用磁控溅射法制备高质量氧化镁薄膜和钛掺杂氧化镁薄膜,并对薄膜进行形貌表征,研究其二次电子发射倍增特性,包括氧化镁薄膜电子倍增器的增益特性以及增益衰减情况。

结果表明:高压源电压和电流的增大均可提高电子倍增器的电流增益倍数;掺杂Ti 不仅能提高电子倍增器的增益效能,且相比纯氧化镁薄膜,钛掺杂氧化镁薄膜的增益衰减明显放缓,能够将倍增器的寿命延长2倍以上。

关键词:氧化镁薄膜;钛掺杂;磁控溅射;二次电子发射;电子倍增特性 中图分类号:TB34文献标志码:A 文章编号:1673-1379(2021)06-0687-06DOI: 10.12126/see.2021.06.012The secondary electron emission multiplication characteristics oftitanium-doped magnesium oxide thin filmsCUI Naiyuan, WANG Sizhan, WANG Zhihao, LIU Yuming, LI Man, WANG Lu(Beijing Institute of Spacecraft Environment Engineering, Beijing 100094, China)Abstract: The magnesium oxide, due to its high secondary electron emission coefficient, is suitable as asecondary electron emission material for the preparation of multi-stage amplification devices. In this paper, the high-quality magnesium oxide films and the titanium-doped magnesium oxide films are prepared by the magnetron sputtering, and the morphology of the films is characterized. In addition, the secondary electron emission multiplication characteristics of the films used in the MgO film electron multiplier are studied. The gain characteristics and the gain reduction of the electron multiplier are also analyzed. It is shown that the increase of the voltage or the current of the high voltage source can both increase the current gain multiple of the electron multiplier; the titanium doping, for example, the Ti-doped MgO film in comparison with the pure MgO film, can not only increase the gain of the electron multiplier, but also extend the working life of the multiplier more than two times.Keywords: magnesium oxide thin films; titanium doping; magnetron sputtering; secondary electron emission; electron multiplication characteristics收稿日期:2021-06-29;修回日期:2021-12-14基金项目:国家自然科学基金项目(编号:1187021136)引用格式:崔乃元, 王思展, 王志浩, 等. 钛掺杂氧化镁薄膜二次电子发射倍增特性研究[J]. 航天器环境工程, 2021, 38(6):687-692CUI N Y, WANG S Z, WANG Z H, et al. The secondary electron emission multiplication characteristics of titanium-doped magnesium oxide thin films[J]. Spacecraft Environment Engineering, 2021, 38(6): 687-692第 38 卷第 6 期航 天 器 环 境 工 程Vol. 38, No. 62021 年 12 月SPACECRAFT ENVIRONMENT ENGINEERING 687E-mail: ***************Tel: (010)68116407, 68116408, 68116544. All Rights Reserved.0 引言原子频率标准(以下简称频标)技术被广泛应用于守时和授时服务,常见的原子频标有铷原子频标、铯原子频标和氢原子频标等。

电子顺磁共振EPR

电子顺磁共振EPR

它是直接检测和研究含有未成对电子顺磁 性物质的一种波谱学技术 。
It is also often called ESR, Electron Spin Resonance, ESR.
2010研究生课程— EPR
What Is the Electron Spin?
The electron spin is the electron’s electromagnetic field angular momentum.
340
345
350
325
330
335
340
345
350
Magnetic Fi mT
EPR—研究对象
Unstable Radicals
EPR—研究对象
对一些不稳定、寿命短的活性粒子, 对一些不稳定、寿命短的活性粒子,必须采用一些特 殊的处理才能观察到它们的EPR信号,主要方法有: 信号, 殊的处理才能观察到它们的 信号 主要方法有:
电子自旋即电子的电磁角动量
电子内禀运动或电子内禀运动量子数的简称。 电子内禀运动或电子内禀运动量子数的简称。 电子具有电荷, 电子具有电荷,同时电子像陀螺一样绕一个 固定轴旋转,形成有南北极的自旋磁矩。 固定轴旋转,形成有南北极的自旋磁矩。
EPR—研究对象
一、 电子顺磁共振的研究对象
Application Fields of ESR Spectroscopy
J. Ferreira Severino et al. Free Radical Biology & Medicine 46 (2009) 1076–1088
EPR—研究对象
EPR—研究对象
烟草:清除烟草烟气自由基—某些有害成分 某些有害成分。 烟草:清除烟草烟气自由基 某些有害成分。

太赫兹波段超材料的制作、设计及应用

太赫兹波段超材料的制作、设计及应用

第6卷 第3期2013年6月  中国光学 Chinese Optics Vol.6 No.3June 2013 收稿日期:2013⁃02⁃17;修订日期:2013⁃04⁃15 基金项目:国家自然科学基金资助项目(No.10834015;No.61077082);陕西省科技新星资助项目(No.2012KJXX⁃27);陕西省光电技术与功能材料省部共建国家重点实验室培育基地基金资助项目(No.ZS12018)文章编号 1674⁃2915(2013)03⁃0283⁃14太赫兹波段超材料的制作、设计及应用潘学聪1,姚泽瀚2,徐新龙1,2∗,汪 力1(1.中国科学院物理研究所北京凝聚态物理国家实验室,北京100190;2.西北大学光子学与光子技术研究所光电技术与功能材料国家重点实验室培育基地,陕西西安710069)摘要:本文从制作方法、结构设计和材料选择几方面综述了超材料在太赫兹波段的电磁响应特性和潜在应用。

首先,介绍了获得不同维度、具有特异电磁响应以及结构可调超材料的各种微加工制作方法,进而分析和讨论了超材料的电磁响应特性。

文中指出,结构设计可以控制超材料的电磁响应特性,如各向异性、双各向异性、偏振调制、多频响应、宽带响应、不对称透射、旋光性和超吸收等。

超材料的电磁响应依赖于周围微环境的介电性质,因而可用于制作对环境敏感的传感器件。

此外,电光、磁光、相变、温度敏感等功能材料的引入可以获得光场、电场、磁场、温度等主动控制的太赫兹功能器件。

最后,简单介绍了超材料在太赫兹波段进一步发展所面临的机遇和挑战。

关 键 词:超材料;太赫兹技术;结构设计;调制;偏振中图分类号:O441;TB34 文献标识码:A doi:10.3788/CO.20130603.0283Fabrication ,design and application of THz metamaterialsPAN Xue⁃cong 1,YAO Ze⁃han 2,XU Xin⁃long 1,2∗,WANG Li 1(1.Beijing National Laboratory for Condensed Matter Physics ,Institute of Physics ,Chinese Academy of Sciences ,Beijing 100190,China ;2.State Key Laboratory Incubation Base of Photoelectric Technology and Functional Materials ,Institute of Photonics &Photon⁃Technology ,Northwest University ,Xi′an 710069,China )∗Corresponding author ,E⁃mail :xlxuphy@ Abstract :In this paper,the electromagnetic responses and potential applications of THz metamaterials are re⁃viewed through the focus on fabrication,unit structure design,and material selection,respectively.It de⁃scribes different kinds of fabrication technologies for obtaining metamaterials with special electromagnetic re⁃sponses such as magnetic resonance and reconfigurable tunability,which is helpful for further understanding of electromagnetic resonances in metamaterials.The paper analyzes the electromagnetic response characteristics in detail and points out that the unit structure design can be used to obtain desired electromagnetic characteris⁃tics,such as anisotropy,bianisotropy,polarization modulation,multiband response,broadband response,asymmetric transmission,optical activity,and perfect absorption,etc .The dependence of electromagnetic re⁃sponses upon surrounding dielectrics can be used not only to control resonant frequency by a proper substrateselection,but also for sensing applications.Furthermore,the introduction of functional materials with control⁃lable dielectric properties by external optical field,electrical field,magnetic field and temperature has the po⁃tential to achieve tunable metamaterials,which is highly desirable for THz functional devices.Finally,the op⁃portunities and challenges for further developments of THz metamaterials are briefly introduced.Key words:metamaterials;THz technology;structure design;modulation;polarization1 引 言 通过对自然材料的裁剪、加工和设计,从而实现对电子、光子以及其他一些元激发准粒子的人为调控,一直是光电科学研究的重点。

国内外材料领域的牛人

国内外材料领域的牛人

国内外材料领域的牛人在材料领域中,存在许多具有突出才能和成就的牛人,他们在国内外材料研究、应用和创新方面做出了重要贡献。

以下是一些值得介绍的牛人。

1. 郭永泉(Yongquan Guo)教授:郭教授是国际著名的材料科学家和教育家。

他在陶瓷材料和固体氧化物燃料电池领域做出了杰出贡献。

郭教授是固体氧化物燃料电池的先驱,他发展了多种新型材料和技术,为固体氧化物燃料电池的实际应用铺平了道路。

2. Jean-Pierre Colinge:Colinge教授是国际上知名的半导体材料专家和科学家。

他在精确刻蚀技术、半导体器件和纳米材料方面做出了重要贡献。

Colinge教授是深受尊敬的科学家,他的研究对于半导体材料的发展和应用具有重要意义。

3. 朝永振一郎(Shin'ichirō Tomonaga):朝永振一郎是日本著名的物理学家,他是量子场论和量子电动力学领域的先驱。

他在理论物理和材料科学研究方面做出了突出贡献,特别是在量子物理学和凝聚态物理学方面。

4. Michael Graetzel:Graetzel教授是瑞士知名的化学家和材料科学家。

他是新型太阳能电池,染料敏化太阳能电池(DSSC)的发明者,这种电池以其高效能和低成本而受到广泛关注。

Graetzel教授的贡献在于提出了染料敏化太阳能电池的概念并发展出高效的电池材料。

5. 王阳明(Yung-Ming Wang)教授:王教授是美国工程院院士,他在材料科学和工程领域的研究和创新方面具有卓越贡献。

他的研究主要集中在复合材料、超导材料和纳米材料等方面,王教授的研究成果对于材料科学的理论和应用具有重要影响。

这只是一小部分材料领域的牛人,还有许多其他值得关注的材料科学家和工程师。

这些牛人的杰出成就对于材料领域的发展和应用产生了巨大影响,他们的研究和创新成果将继续推动材料科学的进步。

李永舫, 苯基侧链,有机太阳能电池受体

李永舫, 苯基侧链,有机太阳能电池受体

李永舫, 苯基侧链,有机太阳能电池受体李永舫, 苯基侧链和有机太阳能电池受体为了满足目前日益增长的能源需求以及环境保护的要求,太阳能作为一种清洁可再生的能源正受到越来越多的关注。

有机太阳能电池作为太阳能利用的一种重要技术,具有资源丰富、制备简单、柔性可塑性强等优点,因此成为了研究的热点之一。

在有机太阳能电池中,受体材料起到接受光子能量和产生电荷的关键作用。

而李永舫教授及其研究团队以苯基侧链作为主要结构单元,设计并合成了一系列有效的有机太阳能电池受体材料,取得了显著的研究成果。

首先,苯基侧链在有机太阳能电池受体中发挥了至关重要的作用。

苯基侧链是一种强电子给体,其它官能团将带有杂原子如氧、硫等的官能基连接在苯环的侧链位置,形成了共轭体系。

这种结构具有高电子迁移率和良好的电子亲和力,有利于电子的输送和抽取,从而提高了有机太阳能电池的电荷传输效率。

此外,苯基侧链的引入还可以调节受体材料的光学、电学性质和能级结构,使得有机太阳能电池的光电转换效率得到进一步提高。

其次,李永舫教授及其研究团队基于苯基侧链,设计并合成了一系列高效的有机太阳能电池受体材料。

这些受体材料具有良好的溶解性、热稳定性和光电性能,能够与供体材料形成良好的共混体,实现高效的光电转换。

例如,团队设计合成了一种以苯基炔为核心的受体材料,在有机太阳能电池中表现出了高的光电转换效率。

另外,他们还通过调控苯基侧链的结构,合成了一系列不同的受体材料,用于实现宽波长范围内的光电转换。

这些研究成果为有机太阳能电池的性能优化提供了新的途径。

最后,李永舫教授及其研究团队对苯基侧链结构与有机太阳能电池性能之间的关系进行了深入研究。

他们通过对比不同结构的苯基侧链对电池性能的影响,解析了苯基侧链的影响机制。

研究结果表明,苯基侧链的长度、取代基的种类和位置等因素均对光电转换效率起到了重要的影响。

通过有选择性地引入不同结构的苯基侧链,可以调控有机太阳能电池的能级对齐和电荷分离,实现更高效的光电转换。

高熵合金

高熵合金

Microstructures and properties of high-entropyalloysYong Zhang a ,⇑,Ting Ting Zuo a ,Zhi Tang b ,Michael C.Gao c ,d ,Karin A.Dahmen e ,Peter K.Liaw b ,Zhao Ping Lu aa State Key Laboratory for Advanced Metals and Materials,University of Science and Technology Beijing,Beijing 100083,Chinab Department of Materials Science and Engineering,The University of Tennessee,Knoxville,TN 37996,USAc National Energy Technology Laboratory,1450Queen Ave SW,Albany,OR 97321,USAd URS Corporation,PO Box 1959,Albany,OR 97321-2198,USAe Department of Physics,University of Illinois at Urbana-Champaign,1110West Green Street,Urbana,IL 61801-3080,USA a r t i c l e i n f o Article history:Received 26September 2013Accepted 8October 2013Available online 1November 2013a b s t r a c tThis paper reviews the recent research and development of high-entropy alloys (HEAs).HEAs are loosely defined as solid solutionalloys that contain more than five principal elements in equal ornear equal atomic percent (at.%).The concept of high entropyintroduces a new path of developing advanced materials withunique properties,which cannot be achieved by the conventionalmicro-alloying approach based on only one dominant element.Up to date,many HEAs with promising properties have beenreported, e.g.,high wear-resistant HEAs,Co 1.5CrFeNi 1.5Ti andAl 0.2Co 1.5CrFeNi 1.5Ti alloys;high-strength body-centered-cubic(BCC)AlCoCrFeNi HEAs at room temperature,and NbMoTaV HEAat elevated temperatures.Furthermore,the general corrosion resis-tance of the Cu 0.5NiAlCoCrFeSi HEA is much better than that of theconventional 304-stainless steel.This paper first reviews HEA for-mation in relation to thermodynamics,kinetics,and processing.Physical,magnetic,chemical,and mechanical properties are thendiscussed.Great details are provided on the plastic deformation,fracture,and magnetization from the perspectives of cracklingnoise and Barkhausen noise measurements,and the analysis of ser-rations on stress–strain curves at specific strain rates or testingtemperatures,as well as the serrations of the magnetizationhysteresis loops.The comparison between conventional andhigh-entropy bulk metallic glasses is analyzed from the viewpointsof eutectic composition,dense atomic packing,and entropy of 0079-6425/$-see front matter Ó2013Elsevier Ltd.All rights reserved./10.1016/j.pmatsci.2013.10.001⇑Corresponding author.Tel.:+8601062333073;fax:+8601062333447.E-mail address:drzhangy@ (Y.Zhang).2Y.Zhang et al./Progress in Materials Science61(2014)1–93mixing.Glass forming ability and plastic properties of high-entropy bulk metallic glasses are also discussed.Modeling tech-niques applicable to HEAs are introduced and discussed,such asab initio molecular dynamics simulations and CALPHAD modeling.Finally,future developments and potential new research directionsfor HEAs are proposed.Ó2013Elsevier Ltd.All rights reserved. Contents1.Introduction (3)1.1.Four core effects (4)1.1.1.High-entropy effect (4)1.1.2.Sluggish diffusion effect (5)1.1.3.Severe lattice-distortion effect (6)1.1.4.Cocktail effect (7)1.2.Key research topics (9)1.2.1.Mechanical properties compared with other alloys (10)1.2.2.Underlying mechanisms for mechanical properties (11)1.2.3.Alloy design and preparation for HEAs (11)1.2.4.Theoretical simulations for HEAs (12)2.Thermodynamics (12)2.1.Entropy (13)2.2.Thermodynamic considerations of phase formation (15)2.3.Microstructures of HEAs (18)3.Kinetics and alloy preparation (23)3.1.Preparation from the liquid state (24)3.2.Preparation from the solid state (29)3.3.Preparation from the gas state (30)3.4.Electrochemical preparation (34)4.Properties (34)4.1.Mechanical behavior (34)4.1.1.Mechanical behavior at room temperature (35)4.1.2.Mechanical behavior at elevated temperatures (38)4.1.3.Mechanical behavior at cryogenic temperatures (45)4.1.4.Fatigue behavior (46)4.1.5.Wear behavior (48)4.1.6.Summary (49)4.2.Physical behavior (50)4.3.Biomedical,chemical and other behaviors (53)5.Serrations and deformation mechanisms (55)5.1.Serrations for HEAs (56)5.2.Barkhausen noise for HEAs (58)5.3.Modeling the Serrations of HEAs (61)5.4.Deformation mechanisms for HEAs (66)6.Glass formation in high-entropy alloys (67)6.1.High-entropy effects on glass formation (67)6.1.1.The best glass former is located at the eutectic compositions (67)6.1.2.The best glass former is the composition with dense atomic packing (67)6.1.3.The best glass former has high entropy of mixing (67)6.2.GFA for HEAs (68)6.3.Properties of high-entropy BMGs (70)7.Modeling and simulations (72)7.1.DFT calculations (73)7.2.AIMD simulations (75)7.3.CALPHAD modeling (80)8.Future development and research (81)Y.Zhang et al./Progress in Materials Science61(2014)1–9338.1.Fundamental understanding of HEAs (82)8.2.Processing and characterization of HEAs (83)8.3.Applications of HEAs (83)9.Summary (84)Disclaimer (85)Acknowledgements (85)References (85)1.IntroductionRecently,high-entropy alloys(HEAs)have attracted increasing attentions because of their unique compositions,microstructures,and adjustable properties[1–31].They are loosely defined as solid solution alloys that contain more thanfive principal elements in equal or near equal atomic percent (at.%)[32].Normally,the atomic fraction of each component is greater than5at.%.The multi-compo-nent equi-molar alloys should be located at the center of a multi-component phase diagram,and their configuration entropy of mixing reaches its maximum(R Ln N;R is the gas constant and N the number of component in the system)for a solution phase.These alloys are defined as HEAs by Yeh et al.[2], and named by Cantor et al.[1,33]as multi-component alloys.Both refer to the same concept.There are also some other names,such as multi-principal-elements alloys,equi-molar alloys,equi-atomic ratio alloys,substitutional alloys,and multi-component alloys.Cantor et al.[1,33]pointed out that a conventional alloy development strategy leads to an enor-mous amount of knowledge about alloys based on one or two components,but little or no knowledge about alloys containing several main components in near-equal proportions.Theoretical and experi-mental works on the occurrence,structure,and properties of crystalline phases have been restricted to alloys based on one or two main components.Thus,the information and understanding are highly developed on alloys close to the corners and edges of a multi-component phase diagram,with much less knowledge about alloys located at the center of the phase diagram,as shown schematically for ternary and quaternary alloy systems in Fig.1.1.This imbalance is significant for ternary alloys but becomes rapidly much more pronounced as the number of components increases.For most quater-nary and other higher-order systems,information about alloys at the center of the phase diagram is virtually nonexistent except those HEA systems that have been reported very recently.In the1990s,researchers began to explore for metallic alloys with super-high glass-forming ability (GFA).Greer[29]proposed a confusion principle,which states that the more elements involved,the lower the chance that the alloy can select viable crystal structures,and thus the greater the chanceand quaternary alloy systems,showing regions of the phase diagram thatand relatively less well known(white)near the center[33].solid-solutions even though the cooling rate is very high,e.g.,alloys of CuCoNiCrAlFeTiV,FeCrMnNiCo,CoCrFeNiCu,AlCoCrFeNi,NbMoTaWV,etc.[1,2,12–14].The yield strength of the body-centered cubic (BCC)HEAs can be rather high [12],usually compa-rable to BMGs [12].Moreover,the high strength can be kept up to 800K or higher for some HEAs based on 3d transition metals [14].In contrast,BMGs can only keep their high strength below their glass-transition temperature.1.1.Four core effectsBeing different from the conventional alloys,compositions in HEAs are complex due to the equi-molar concentration of each component.Yeh [37]summarized mainly four core effects for HEAs,that is:(1)Thermodynamics:high-entropy effects;(2)Kinetics:sluggish diffusion;(3)Structures:severe lattice distortion;and (4)Properties:cocktail effects.We will discuss these four core effects separately.1.1.1.High-entropy effectThe high-entropy effects,which tend to stabilize the high-entropyphases,e.g.,solid-solution phases,were firstly proposed by Yeh [9].The effects were very counterintuitive because it was ex-pected that intermetallic compound phases may form for those equi-or near equi-atomic alloy com-positions which are located at the center of the phase diagrams (for example,a monoclinic compound AlCeCo forms in the center of Al–Ce–Co system [38]).According to the Gibbs phase rule,the number of phases (P )in a given alloy at constant pressure in equilibrium condition is:P ¼C þ1ÀF ð1-1Þwhere C is the number of components and F is the maximum number of thermodynamic degrees of freedom in the system.In the case of a 6-component system at given pressure,one might expect a maximum of 7equilibrium phases at an invariant reaction.However,to our surprise,HEAs form so-lid-solution phases rather than intermetallic phases [1,2,4,17].This is not to say that all multi-compo-nents in equal molar ratio will form solid solution phases at the center of the phase diagram.In fact,only carefully chosen compositions that satisfy the HEA-formation criteria will form solid solutions instead of intermetallic compounds.The solid-solution phase,according to the classical physical-metallurgy theory,is also called a ter-minal solid solution.The solid-solution phase is based on one element,which is called the solvent,and contains other minor elements,which are called the solutes.In HEAs,it is very difficult to differentiate the solvent from the solute because of their equi-molar portions.Many researchers reported that the multi-principal-element alloys can only form simple phases of body-centered-cubic (BCC)or face-cen-tered-cubic (FCC)solid solutions,and the number of phases formed is much fewer than the maximum number of phases that the Gibbs phase rule allows [9,23].This feature also indicates that the high en-tropy of the alloys tends to expand the solution limits between the elements,which may further con-firm the high-entropy effects.The high-entropy effect is mainly used to explain the multi-principal-element solid solution.According to the maximum entropy production principle (MEPP)[39],high entropy tends to stabilize the high-entropy phases,i.e.,solid-solution phases,rather than intermetallic phases.Intermetallics are usually ordered phases with lower configurational entropy.For stoichiometric intermetallic com-pounds,their configurational entropy is zero.Whether a HEA of single solid solution phase is in its equilibrium has been questioned in the sci-entific community.There have been accumulated evidences to show that the high entropy of mixing truly extends the solubility limits of solid solution.For example,Lucas et al.[40]recently reported ab-sence of long-range chemical ordering in equi-molar FeCoCrNi alloy that forms a disordered FCC struc-ture.On the other hand,it was reported that some equi-atomic compositions such as AlCoCrCuFeNi contain several phases of different compositions when cooling slowly from the melt [15],and thus it is controversial whether they can be still classified as HEA.The empirical rules in guiding HEA for-mation are addressed in Section 2,which includes atomic size difference and heat of mixing.4Y.Zhang et al./Progress in Materials Science 61(2014)1–93Y.Zhang et al./Progress in Materials Science61(2014)1–935 1.1.2.Sluggish diffusion effectThe sluggish diffusion effect here is compared with that of the conventional alloys rather than the bulk-glass-forming alloys.Recently,Yeh[9]studied the vacancy formation and the composition par-tition in HEAs,and compared the diffusion coefficients for the elements in pure metals,stainless steels, and HEAs,and found that the order of diffusion rates in the three types of alloy systems is shown be-low:Microstructures of an as-cast CuCoNiCrAlFe alloy.(A)SEM micrograph of an etched alloy withBCC and ordered BCC phases)and interdendrite(an FCC phase)structures.(B)TEMplate,70-nm wide,a disordered BCC phase(A2),lattice constant,2.89A;(B-b)aphase(B2),lattice constant,2.89A;(B-c)nanoprecipitation in a spinodal plate,7nm(B-d)nanoprecipitation in an interspinodal plate,3nm in diameter,a disorderedarea diffraction(SAD)patterns of B,Ba,and Bb with zone axes of BCC[01[011],respectively[2].illustration of intrinsic lattice distortion effects on Bragg diffraction:(a)perfect latticewith solid solutions of different-sized atoms,which are expected to randomly distribute statistical average probability of occupancy;(c)temperature and distortion effectsY.Zhang et al./Progress in Materials Science61(2014)1–937 the intensities further drop beyond the thermal effect with increasing the number of constituent prin-cipal elements.An intrinsic lattice distortion effect caused by the addition of multi-principal elements with different atomic sizes is expected for the anomalous decrease in the XRD intensities.The math-ematical treatment of this distortion effect for the modification of the XRD structure factor is formu-lated to be similar to that of the thermal effect,as shown in Fig.1.3[41].The larger roughness of the atomic planes makes the intensity of the XRD for HEAs much lower than that for the single-element solid.The severe lattice distortion is also used to explain the high strength of HEAs,especially the BCC-structured HEAs[4,12,23].The severe lattice-distortion effect is also related to the tensile brittle-ness and the slower kinetics of HEAs[2,9,11].However,the authors also noticed that single-phase FCC-structured HEAs have very low strength[7],which certainly cannot be explained by the severe lattice distortion argument.Fundamental studies in quantification of lattice distortion of HEAs are needed.1.1.4.Cocktail effectThe cocktail-party effect was usually used as a term in the acousticsfield,which have been used to describe the ability to focus one’s listening attention on a single talker among a mixture of conversa-tions and background noises,ignoring other conversations.For metallic alloys,the effect indicates that the unexpected properties can be obtained after mixing many elements,which could not be obtained from any one independent element.The cocktail effect for metallic alloys wasfirst mentioned by Ranganathan[42],which has been subsequently confirmed in the mechanical and physical properties [12,13,15,18,35,43].The cocktail effect implies that the alloy properties can be greatly adjusted by the composition change and alloying,as shown in Fig.1.4,which indicates that the hardness of HEAs can be dramat-ically changed by adjusting the Al content in the CoCrCuNiAl x HEAs.With the increase of the Al con-lattice constants of a CuCoNiCrAl x Fe alloy system with different x values:(A)hardnessconstants of an FCC phase,(C)lattice constants of a BCC phase[2].CoNiCrAl x Fe alloy system with different x values,the Cu-free alloy has lower hardness.CoCrCuFeNiAl x[15,45].Cu forms isomorphous solid solution with Ni but it is insoluble in Co,Cr and Fe;it dissolves about20at.%Al but also forms various stable intermetallic compounds with Al.Fig.1.6exhibits the hardness of some reported HEAs in the descending order with stainless steels as benchmark.The MoTiVFeNiZrCoCr alloy has a very high value of hardness of over800HV while CoCrFeNiCu is very soft with a value of less than200HV.Fig.1.7compares the specific strength,which yield strength over the density of the materials,and the density amongalloys,polymers and foam materials[5].We can see that HEAs have densitieshigh values of specific strength(yield strength/density).This is partiallyHEAs usually contain mainly the late transitional elements whoselightweight HEAs have much more potential because lightweightdensity of the resultant alloys will be lowered significantly.Fig.1.8strength of HEAs vs.Young’s modulus compared with conventional alloys.highest specific strength and their Young’s modulus can be variedrange of hardness for HEAs,compared with17–4PH stainless steel,Hastelloy,andYield strength,r y,vs.density,q.HEAs(dark dashed circle)compared with other materials,particularly structural Grey dashed contours(arrow indication)label the specific strength,r y/q,from low(right bottom)to high(left top).among the materials with highest strength and specific strength[5].Specific-yield strength vs.Young’s modulus:HEAs compared with other materials,particularly structural alloys.among the materials with highest specific strength and with a wide range of Young’s modulus[5].range.This observation may indicate that the modulus of HEAs can be more easily adjusted than con-ventional alloys.In addition to the high specific strength,other properties such as high hydrogen stor-age property are also reported[46].1.2.Key research topicsTo understand the fundamentals of HEAs is a challenge to the scientists in materials science and relatedfields because of lack of thermodynamic and kinetic data for multi-component systems in the center of phase diagrams.The phase diagrams are usually available only for the binary and ternary alloys.For HEAs,no complete phase diagrams are currently available to directly assist designing the10Y.Zhang et al./Progress in Materials Science61(2014)1–93alloy with desirable micro-and nanostructures.Recently,Yang and Zhang[28]proposed the X param-eter to design the solid-solution phase HEAs,which should be used combing with the parameter of atomic-size difference.This strategy may provide a starting point prior to actual experiments.The plastic deformation and fracture mechanisms of HEAs are also new because the high-entropy solid solutions contain high contents of multi-principal elements.In single principal-element alloys,dislo-cations dominate the plastic behavior.However,how dislocations interact with highly-disordered crystal lattices and/or chemical disordering/ordering will be an important factor responsible for plastic properties of HEAs.Interactions between the other crystal defects,such as twinning and stacking faults,with chemical/crystal disordering/ordering in HEAs will be important as well.1.2.1.Mechanical properties compared with other alloysFor conventional alloys that contain a single principal element,the main mechanical behavior is dictated by the dominant element.The other minor alloying elements are used to enhance some spe-cial properties.For example,in the low-carbon ferritic steels[47–59],the main mechanical properties are from the BCC Fe.Carbon,which is an interstitial solute element,is used for solid-solution strength-ened steels,and also to enhance the martensite-quenching ability which is the phase-transformation strengthening.The main properties of steels are still from Fe.For aluminum alloys[60]and titanium alloys[61],their properties are mainly related to the dominance of the elemental aluminum and tita-nium,respectively.Intermetallic compounds are usually based on two elements,e.g.,Ti–Al,Fe3Al,and Fe3Si.Interme-tallic compounds are typically ordered phases and some may have strict compositional range.The Burgers vectors of the ordered phases are too large for the dislocations to move,which is the main reason why intermetallic phases are usually brittle.However,there are many successful case studies to improve the ductility of intermetallic compound by micro-alloying,e.g.,micro-alloying of B in Ni3Al [62],and micro-alloying of Cr in Fe3Al[63,64].Amorphous metals usually contain at least three elements although binary metallic glasses are also reported,and higher GFA can be obtained with addition of more elements,e.g.,ZrTiCuNiBe(Vit-1), PdNiCuP,LaAlNiCu,and CuZrAlY alloys[65–69].Amorphous metals usually exhibit ultrahigh yield strength,because they do not contain conventional any weakening factors,such as dislocations and grain boundaries,and their yield strengths are usually three tofive times of their corresponding crys-talline counterpart alloys.There are several models that are proposed to explain the plastic deforma-tion of the amorphous metal,including the free volume[70],a shear-transformation-zone(STZ)[71], more recently a tension-transition zone(TTZ)[72],and the atomic-level stress[73,74].The micro-mechanisms of the plastic deformation of amorphous metals are usually by forming shear bands, which is still an active research area till today.However,the high strength of amorphous alloys can be sustained only below the glass-transition temperature(T g).At temperatures immediately above T g,the amorphous metals will transit to be viscous liquids[68]and will crystallize at temperatures above thefirst crystallization onset temperature.This trend may limit the high-temperature applica-tions of amorphous metals.The glass forming alloys often are chemically located close to the eutectic composition,which further facilitates the formation of the amorphous metal–matrix composite.The development of the amorphous metal–matrix composite can enhance the room-temperature plastic-ity of amorphous metals,and extend application temperatures[75–78].For HEAs,their properties can be different from any of the constituent elements.The structure types are the dominant factor for controlling the strength or hardness of HEAs[5,12,13].The BCC-structured HEAs usually have very high yield strengths and limited plasticity,while the FCC-structured HEAs have low yield strength and high plasticity.The mixture of BCC+FCC is expected to possess balanced mechanical properties,e.g.,both high strength and good ductility.Recent studies show that the microstructures of certain‘‘HEAs’’can be very complicated since they often undergo the spinodal decomposition,and ordered,and disordered phase precipitates at lower temperatures. Solution-strengthening mechanisms for HEAs would be much different from conventional alloys. HEAs usually have high melting points,and the high yield strength can usually be sustained to ultrahigh temperatures,which is shown in Fig.1.9for refractory metal HEAs.The strength of HEAs are sometimes better than those of conventional superalloys[14].Temperature dependence of NbMoTaW,VNbMoTaW,Inconel718,and Haynes2301.2.2.Underlying mechanisms for mechanical propertiesMechanical properties include the Young’s modulus,yield strength,plastic elongation,fracture toughness,and fatigue properties.For the conventional one-element principal alloys,the Young’s modulus is mainly controlled by the dominant element,e.g.,the Young’s modulus of Fe-based alloys is about200GPa,that of Ti-based alloys is approximately110GPa,and that of Al-based alloys is about 75GPa,as shown in Fig.1.8.In contrast,for HEAs,the modulus can be very different from any of the constituent elements in the alloys[79],and the moduli of HEAs are scattered in a wide range,as shown in Fig.1.8.Wang et al.[79] reported that the Young’s modulus of the CoCrFeNiCuAl0.5HEA is about24.5GPa,which is much lower than the modulus of any of the constituent elements in the alloy.It is even lower than the Young’s modulus of pure Al,about69GPa[80].On the other hand,this value needs to be verified using other methods including impulse excitation of vibration.It has been reported that the FCC-structured HEAs exhibit low strength and high plasticity[13], while the BCC-structured HEAs show high strength and low plasticity at room temperature[12].Thus, the structure types are the dominant factor for controlling the strength or hardness of HEAs.For the fracture toughness of the HEAs,there is no report up to date.1.2.3.Alloy design and preparation for HEAsIt has been verified that not all the alloys withfive-principal elements and with equi-atomic ratio compositions can form HEA solid solutions.Only carefully chosen compositions can form FCC and BCC solid solutions.Till today there is no report on hexagonal close-packed(HCP)-structured HEAs.One reason is probably due to the fact that a HCP structure is often the stable structure at low tempera-tures for pure elements(applicable)in the periodic table,and that it may transform to either BCC or FCC at high temperatures.Most of the HEA solid solutions are identified by trial-and-error exper-iments because there is no phase diagram on quaternary and higher systems.Hence,the trial-and er-ror approach is the main way to develop high-performance HEAs.However,some parameters have been proposed to predict the phase formation of HEAs[17,22,28]in analogy to the Hume-Rothery rule for conventional solid solution.The fundamental thermodynamic equation states:G¼HÀTSð1-2Þwhere H is the enthalpy,S is the entropy,G is the Gibbs free energy,and T is the absolute temperature. From Eq.(1-2),the TS term will become significant at high temperatures.Hence,preparing HEAs from the liquid and gas would provide different kinds of information.These techniques may include sput-tering,laser cladding,plasma coating,and arc melting,which will be discussed in detail in the next chapter.For the atomic-level structures of HEAs,the neutron and synchrotron diffraction methods are useful to detect ordering parameters,long-range order,and short-range ordering[81].1.2.4.Theoretical simulations for HEAsFor HEAs,entropy effects are the core to their formation and properties.Some immediate questions are:(1)How can we accurately predict the total entropy of HEA phase?(2)How can we predict the phasefield of a HEA phase as a function of compositions and temperatures?(3)What are the proper modeling and experimental methods to study HEAs?To address the phase-stability issue,thermody-namic modeling is necessary as thefirst step to understand the fundamental of HEAs.The typical mod-eling techniques to address thermodynamics include the calculation of phase diagram(CALPHAD) modeling,first-principle calculations,molecular-dynamics(MD)simulations,and Monte Carlo simulations.Kao et al.[82]using MD to study the structure of HEAs,and their modeling efforts can well explain the liquid-like structure of HEAs,as shown in Fig.1.10.Grosso et al.[83]studied refractory HEAs using atomistic modeling,clarified the role of each element and their interactions,and concluded that4-and 5-elements alloys are possible to quantify the transition to a high-entropy regime characterized by the formation of a continuous solid solution.2.Thermodynamicsof a liquid-like atomic-packing structure using multiple elementsthird,fourth,andfifth shells,respectively,but the second and third shellsdifference and thus the largefluctuation in occupation of different atoms.2.1.EntropyEntropy is a thermodynamic property that can be used to determine the energy available for the useful work in a thermodynamic process,such as in energy-conversion devices,engines,or machines. The following equation is the definition of entropy:dS¼D QTð2-1Þwhere S is the entropy,Q is the heatflow,and T is the absolute temperature.Thermodynamic entropy has the dimension of energy divided by temperature,and a unit of Joules per Kelvin(J/K)in the Inter-national System of Units.The statistical-mechanics definition of entropy was developed by Ludwig Boltzmann in the1870s [85]and by analyzing the statistical behavior of the microscopic components of the system[86].Boltz-mann’s hypothesis states that the entropy of a system is linearly related to the logarithm of the fre-quency of occurrence of a macro-state or,more precisely,the number,W,of possible micro-states corresponding to the macroscopic state of a system:Fig.2.1.Illustration of the D S mix for ternary alloy system with the composition change[17].。

多通道碳阴极活化过一硫酸盐降解水中有机物的性能

多通道碳阴极活化过一硫酸盐降解水中有机物的性能

大连理工大学硕士学位论文摘要活化的过硫酸盐氧化,作为一种新兴的高级氧化技术,是一种矿化难降解有毒污染物的有效方法。

在众多的活化方法中,过硫酸盐通过接受电子完成的电化学活化,具有容易操控和环境友好的特点,被认为是一种有前景的活化技术。

但在电化学活化的过程中,由于静电斥力阻碍了过硫酸盐阴离子和阴极之间的接触,导致过硫酸盐低的分解率和随后低的自由基的产生量,从而使污染物的降解效果变差。

针对此问题,本文使用天然木材衍生的碳化木(CW)制备了具有多通道的流通式阴极(FTC),通过将过一硫酸盐(PMS)阴离子限制在阴极的微通道中,能够显著地强化其与阴极的碰撞与接触,提高电化学活化的效率并增强对污染物的降解。

主要的研究成果如下:(1)通过天然松木的一步碳化制备并组装了具有丰富的介孔,良好的导电性,较高的机械强度,大量有序的微通道以及对PMS有良好的电催化活性的FTC。

以苯酚为目标污染物,探究了不同的反应条件(PMS浓度、电流密度和停留时间)对FTC电活化PMS降解苯酚性能的影响。

结果表明,在苯酚进水浓度为20 mg/L, 进水TOC=18 mg/L,进水PMS浓度为6.51 mM,背景Na2SO4为0.05 M,电流密度为2.75 mA/cm2,进水pH 2.87,停留时间10 min以及常温的条件下,通过FTC电活化PMS,PMS的分解率达到了71.9%。

苯酚和TOC的去除率分别达到了97.9%和39.6%。

EPR实验结果表明,在FTC电活化PMS的过程中,产生了大量的·OH和SO4•-。

同时,自由基淬灭实验也表明,·OH和SO4•-均参与了对苯酚的降解,且·OH对降解的贡献更大。

此外,五次循环实验的结果证明了本研究组装的FTC具有很好的稳定性。

(2)通过封闭CW的微通道,获得了流过式阴极(FBC)。

在相同的优化条件下,详细对比了在FTC中和FBC上的PMS的分解、自由基的产量以及电活化PMS降解三种酚类有机物(苯酚、双酚A和4-氯苯酚)的性能。

基于CuS空穴传输材料的钙钛矿电池的性能研究

基于CuS空穴传输材料的钙钛矿电池的性能研究

第52卷第3期2023年3月人㊀工㊀晶㊀体㊀学㊀报JOURNAL OF SYNTHETIC CRYSTALS Vol.52㊀No.3March,2023基于CuS 空穴传输材料的钙钛矿电池的性能研究黄孝坤1,杨爱军1,黎健生1,江琳沁2,邱㊀羽2(1.福建省计量科学研究院,国家光伏产业计量测试中心,福州㊀350003;2.福建江夏学院,钙钛矿绿色应用福建省高校重点实验室,福州㊀350108)摘要:为进一步降低钙钛矿太阳能电池(PSCs)制备成本,提高其稳定性,需要可低温制备㊁稳定和高效的无机空穴传输层㊂本文利用太阳能电池模拟软件SCAPS-1D 对基于CuS 空穴传输层的钙钛矿电池进行电学仿真,探讨了吸光层的厚度和缺陷态密度㊁界面层缺陷态密度以及空穴传输层电子亲和能对太阳能电池性能的影响㊂从模拟结果可知,当钙钛矿薄膜的厚度为400nm,吸光层和界面的缺陷态密度小于10-16cm -3,且CuS 的电子亲和能为3.3eV 时,电池性能较佳㊂优化后的电池性能如下:开路电压(V oc )为1.07V,短路电流(J sc )为22.72mA /cm 2,填充因子(FF)为0.85,光电转换效率(PCE)为20.64%㊂本研究为基于CuS 的高效钙钛矿太阳能电池的实验制备提供了理论上的指导㊂关键词:钙钛矿太阳能电池;CuS;空穴传输层;数值模拟;界面;缺陷态密度中图分类号:TM914.4㊀㊀文献标志码:A ㊀㊀文章编号:1000-985X (2023)03-0485-08Performance of Perovskite Solar Cells Based on CuS Hole Transport MaterialsHUANG Xiaokun 1,YANG Aijun 1,LI Jiansheng 1,JIANG Linqin 2,QIU Yu 2(1.National PV Industry Measurement and Testing Center,Fujian Metrology Institute,Fuzhou 350003,China;2.Fujian Provincial Key Laboratory of Green Application of Perovskite,Fujian Jiangxia University,Fuzhou 350108,China)Abstract :Perovskite solar cells (PSCs)have achieved significant progress in recent years.However,to further reduce the cost and improve stability of PSCs,development of low-temperature processed,stable and efficient inorganic hole-transport layer is mandatory.In this work,inorganic CuS based PSCs were simulated with the simulation software SCAPS-1D.The effects of thickness and defect density of the absorber,defect densities of the interfaces,and electron affinity of the hole-transport layer (HTL)on the performance of PSCs were studied.Results show that when perovskite thickness is 400nm,the defect densities of the absorber and the interfaces are both under 10-16cm -3,and the electron affinity of CuS is 3.3eV,the PSCs yield higher performance with open circuit voltage (V oc )of 1.07V,current density (J sc )of 22.72mA /cm 2,fill factor (FF)of 0.85,and photoelectric conversion efficiency (PCE)of 20.64%.This work provides theoretical guidance for the preparation of high-performance PSCs based on CuS HTLs.Key words :perovskite solar cell;CuS;hole-transport layer;numerical simulation;interface;defect density ㊀㊀收稿日期:2022-12-06㊀㊀基金项目:国家市场监督管理总局科技计划项目(2021MK050);国家自然科学基金青年科学基金项目(52102158);福建省科技厅高校产学合作项目(2021H6011);福建省高等学校科技创新团队(产业化专项)(IRTSTFJ)㊀㊀作者简介:黄孝坤(1990 ),男,福建省人,博士㊂E-mail:xiaokun.huang@ ㊀㊀通信作者:杨爱军,教授级高工㊂E-mail:547472930@ 邱㊀羽,博士,教授㊂E-mail:yuqiu@0㊀引㊀㊀言近几年,卤化物钙钛矿由于其优异的光电性能受到科学界的广泛关注[1-4]㊂基于钙钛矿材料的太阳能电池如今已取得25.7%的光电转换效率[5],十分接近Shockley-Queisser 的理论极限[6],具有非常好的产业化前景㊂钙钛矿电池一般由透明导电玻璃㊁电子传输层㊁钙钛矿吸光层㊁空穴传输层和金属电极这几个部分组486㊀研究论文人工晶体学报㊀㊀㊀㊀㊀㊀第52卷成㊂在空穴传输层中,有机物2,2ᶄ,7,7ᶄ-四[N,N-二(4-甲氧基苯基)氨基]-9,9ᶄ-螺二芴(Spiro-OMeTAD)是当前使用最为广泛的材料㊂然而,Spiro-OMeTAD 价格昂贵(5200元/g),是黄金价格的五倍,且需要掺杂易吸湿的锂盐以增强材料的导电性,这无疑对钙钛矿电池的制造成本和稳定性造成了一定的影响,也限制了钙钛矿电池进一步商业化应用㊂因此,研究者们将目光转向无机的铜基空穴传输材料,如CuI [7]㊁CuSCN [8]㊁Cu 2O [9]等,它们具有稳定性好㊁带隙较宽㊁空穴迁移率高㊁成本低廉等优点[10-11],在替代Spiro-OMeTAD 作为空穴传输层方面具有很大的优势㊂然而,上述三种常用的铜基空穴传输材料需要高温加热使其完全结晶,并且通常需要溶解在一些容易破坏钙钛矿薄膜的极性溶剂中进行旋涂[11-12],严重限制了它们作为空穴传输层在n-i-p 结构的钙钛矿电池中的应用㊂最近,Tirado 等[12]报道了一种低温制备的CuS 纳米颗粒作为空穴传输层的钙钛矿太阳能电池㊂该方法将CuS 颗粒溶解在非极性的甲苯溶剂中,可以很好地旋涂在钙钛矿层上构建n-i-p 结构的电池,器件最终取得了13.47%的光电转换效率㊂此外,CuS 还具有可调节的光电特性[13-14]㊁高电化学稳定性[15]等优点,显示出很好的应用潜力㊂基于以上原因,本文使用SCAPS-1D 软件,对基于CuS 空穴传输层的钙钛矿电池进行理论模拟分析,探索CuS 在钙钛矿电池应用上的潜力㊂通过系统研究钙钛矿层的厚度和缺陷态密度㊁电子/空穴传输层与钙钛矿界面的缺陷态密度以及空穴传输层的电子亲和能这几个关键因素对太阳能电池的性能[开路电压㊁短路电流㊁填充因子以及光电转换效率(photoelectric conversion efficiency,PCE)]的影响,从器件物理机理层面,提出了针对CuS 空穴传输层的n-i-p 型钙钛矿太阳能电池性能的优化途径㊂本研究的数值模拟结果可以作为依据和参考,为无机空穴传输层的高效钙钛矿太阳能电池的实验制备提供相应的理论指导㊂1㊀物理模型与材料参数SCAPS-1D 是比利时根特大学Marc Burgelman 教授等开发的一维太阳电池模拟软件㊂它通过求解三个半导体基本方程组,得出电池I-V 特性㊁光谱响应以及电场分布等相关信息㊂这三个方程即泊松方程(1)以及电子(2)和空穴(3)的连续性方程,如下所示:d d x ε(x )d ψd x []=q [p (x )-n (x )+N +D (x )-N -A (x )+P t (x )-n t (x )](1)-1q d J n d x +R n (x )-G (x )=0(2)1q d J p d x +R p (x )-G (x )=0(3)式中:ε为介电常数;ψ为静电势;q 为电子电荷;p (x )㊁n (x )㊁P t (x )㊁n t (x )分别为自由空穴㊁自由电子㊁俘获空穴以及俘获电子;N +D (x )㊁N -A (x )分别为电离施主浓度和电离受主浓度;J n 为电子电流密度;J p 为空穴电流密度;R n (x )和R p (x )分别为电子和空穴的复合率;G (x )为载流子净产生率;x 为位置坐标㊂本文研究的钙钛矿太阳能电池(perovskite solar cells,PSCs)结构为FTO /SnO 2/perovskite /CuS /Au㊂如图1所示,其中SnO 2和CuS 分别作为电子传输层和空穴传输层,CH 3NH 3PbI 3(MAPbI 3)作为钙钛矿吸光层,FTO 和Au 分别作为前㊁后接触电极,功函数分别为4.4和5.1eV,光线从FTO 端入射㊂用于模拟的材料参数从文献资料[2,4,16-21]中仔细选取,具体数值在表1中列出㊂为了更好地模拟太阳电池的实际工作情况,在SnO 2/perovskite 以及perovskite /CuS 界面处分别插入界面层IL1和IL2以评估载流子在界面的复合情况(界面层除了厚度和缺陷态密度外,其他物理参数均与钙钛矿的一致,见表1)㊂除了表1中列出的参数以外,电子和空穴的热速度统一设置为107cm /s,各层的缺陷类型设置为中性,分布为高斯分布,特征能量为0.1eV,缺陷能级位于带隙中间㊂模拟采用功率为100W /cm 2的标准AM 1.5G 入射光源,环境温度设为300K㊂㊀第3期黄孝坤等:基于CuS空穴传输材料的钙钛矿电池的性能研究487㊀图1㊀用于仿真的钙钛矿太阳能电池结构图(a)以及能带示意图(b)Fig.1㊀Structure of PSCs used for simulation(a)and schematic illustration of energy band(b)表1㊀器件仿真参数Table1㊀Device simulation parametersParameter FTO SnO2IL1Perovskite IL2CuSThickness/nm500501040010200Band gap/eV 3.5 3.5 1.55 1.55 1.55 2.2Electron affinity/eV44 3.9 3.9 3.9 2.9Dielectric constant99 6.5 6.5 6.510 Effective conduction band density/cm-3 2.2ˑ1018 3.7ˑ1018 2.2ˑ1018 2.2ˑ1018 2.2ˑ1018 4.386ˑ1019 Effective valence band density/cm-3 1.8ˑ1019 1.8ˑ1019 1.8ˑ1019 1.8ˑ1019 1.8ˑ1019 4.343ˑ1019 Electron mobility/(cm2㊃V-1㊃s-1)2020101010 2.5 Hole mobility/(cm2㊃V-1㊃s-1)1010101010 2.5 Donor doping concentration/cm-32ˑ10191ˑ10171ˑ10131ˑ10131ˑ10130 Acceptor doping concentration/cm-3000001ˑ1018 Defect density/cm-31ˑ10151ˑ10153ˑ10161ˑ10163ˑ10161ˑ1014Reference[16][17][2,4,18,20-21][19] 2㊀结果与讨论根据表1中的参数仿真得到器件的I-V特性曲线如图2所示,初始状态下钙钛矿电池的参数为:V oc=0.99V, J sc=22.6mA/cm2,FF=0.67,PCE=14.9%㊂电池的效率与文献报道的十分接近[12],证实了初始模型的有效性㊂为进一步探究其优化的方式,本文采取控制变量法,分别研究电池中钙钛矿层的厚度㊁缺陷态密度以及SnO2/钙钛矿界面IL1和钙钛矿/CuS界面IL2的缺陷态密度这几个重要参数对钙钛矿太阳能电池性能的影响㊂在对一个参数进行变化时,电池的其他参数保持为表1中的初始默认参数㊂2.1㊀钙钛矿吸光层厚度的影响作为电池的吸光层,钙钛矿薄膜的厚度对电池性能起着关键作用㊂本文首先将钙钛矿层的厚度从300nm到1000nm作递进变化,探究其对钙钛矿电池性能的影响,所得的结果如图2所示㊂图2(a)显示:当钙钛矿厚度在300~700nm变化时,电池的J sc随着吸光层厚度的增加而急剧增加;但当钙钛矿膜的厚度超过700nm时,电流增加的趋势变缓㊂在一个较薄的钙钛矿层中,由于光生载流子的扩散长度大于吸光层的厚度,大部分的载流子可以扩散到两端的电极而产生电流㊂吸光层厚度的增加造成了更多的光吸收,从而产生更多的光生载流子,使电池的电流密度增加㊂然而当吸光层比较厚时,此时载流子的传输起到更为重要的作用㊂由于载流子传输的路径过长,载流子的复合率也增加了,所以电流密度的增加变缓㊂另外,电池的FF 和V oc随着吸光层厚度的增加而减小(见图2(b)㊁(c)),这也是由随着吸光层厚度的增加光生载流子的复合率增加导致的㊂而FF的减小也由于厚度增加所引起的电池串联电阻的增加[21]㊂综合各个参数分析可知,初始参数400nm即为吸光层的最佳厚度参数(见图2(d))㊂488㊀研究论文人工晶体学报㊀㊀㊀㊀㊀㊀第52卷图2㊀吸光层厚度对钙钛矿电池性能的影响Fig.2㊀Effect of absorber thickness on the performance ofPSCs 图3㊀吸光层的缺陷态密度对钙钛矿电池性能的影响Fig.3㊀Effect of defect densities of perovskite absorber on the performance of PSCs2.2㊀吸光层缺陷态密度的影响接着,本文研究了吸光层的缺陷态密度(defectdensity,N t )对钙钛矿太阳能电池性能的影响㊂从图3中可以看出,当吸光层的缺陷态密度小于1015cm -3时,电池的性能基本不变(~16%)㊂当吸光层的缺陷态密度大于1015cm -3时,电池的效率随着缺陷态密度的增大开始急剧减小㊂当缺陷态密度为1018cm -3时,电池只有4.4%的效率㊂缺陷态密度增加使载流子在吸光层中的复合率增大,从而导致载流子的扩散长度减小(见表2),寿命减少,因此钙钛矿电池的性能显著降低㊂由于钙钛矿的缺陷态密度低于1014cm -3在实验中难以达到[22],因此选择1015cm -3作为优化后的N t 值㊂表2㊀钙钛矿吸光层不同的缺陷态密度与其对应的载流子扩散长度值Table 2㊀Variation of defect densities of perovskite absorber and the corresponding carrier diffusion lengthsDefect density of states /cm -31ˑ10131ˑ10141ˑ10151ˑ10161ˑ10171ˑ1018Carrier diffusion length /μm 16 5.1 1.60.510.160.0512.3㊀界面缺陷态密度的影响除了各层材料本身的质量,电荷传输层/吸光层的界面质量对钙钛矿太阳能电池的性能影响也很大㊂本文将SnO 2/钙钛矿(IL1)以及钙钛矿/CuS(IL2)的界面缺陷态密度设置在1012~1018cm -3(实际实验中一般通过调节材料的化学计量比[23]㊁提高钙钛矿薄膜的质量[24]以及界面钝化[25-27]等方式进行改变),以探究界面质量对钙钛矿电池性能的影响,仿真结果如图4所示㊂可以看出,IL1和IL2界面选取低的缺陷态密度,对㊀第3期黄孝坤等:基于CuS 空穴传输材料的钙钛矿电池的性能研究489㊀电池的性能都是有利的㊂当两个界面的缺陷态密度低于1015cm -3后,钙钛矿电池的性能几乎保持不变㊂同时可以看出,IL1的缺陷态密度对电池效率的影响程度比IL2的要大㊂这是由于光从FTO 端正面照射进电池(见图1(a)),而钙钛矿吸光层的吸收系数大,因此到达电子传输层/钙钛矿层的界面IL1的光子数要远大于钙钛矿层/空穴传输层界面IL2,造成IL1的光生(非平衡)载流子数目远多于IL2㊂在IL1界面更高的非平衡载流子密度引入了更多的复合中心和陷阱[17,28],造成了更高的复合率,从而破坏了电池的性能,特别是光生电流的大小㊂所以,采取适当方法提升电池前界面质量至关重要[21,29]㊂值得注意的是,IL2界面在高缺陷态密度(ȡ1017cm -3)时,钙钛矿电池呈现出 S 形的I-V 特性(见图4(b))㊂一般钙钛矿电池 S 形曲线的出现是由吸光层和传输层之间的电荷传输势垒引起的[30]㊂而CuS 和钙钛矿的价带能级相差0.35eV(见图1(b)),在一定程度上阻碍了空穴的收集与传输;而界面大量缺陷的存在,加剧了这一影响㊂因此对CuS 或者钙钛矿进行掺杂㊁对传输层/钙钛矿界面进行修饰等策略将是消除 S 形曲线并改善钙钛矿电池性能的有效方法[12,31-32]㊂图4㊀界面层IL1(a)与IL2(b)的不同缺陷态密度对钙钛矿电池性能的影响Fig.4㊀Effect of different defect densities of IL1(a)and IL2(b)on the performance of PSCs 2.4㊀CuS 电子亲和能的影响从2.3小节中可知,钙钛矿/CuS 界面~3.5eV 的空穴传输势垒造成了严重的界面载流子复合㊂因此,有必要对CuS 的能级位置进行调节以降低吸光层/空穴传输层的界面势垒高度㊂一般地,价带能级的偏移量(valence band offset,VBO)由空穴传输材料的电子亲和能调节,符号可以是正的或负的[33],如公式(4)中所示:VBO =(χHTL -χper +E g HTL -E g per )(4)式中:χper 和χHTL 分别为钙钛矿和空穴传输层的电子亲和能,而E g per 和E g HTL 分别为钙钛矿和空穴传输层的带隙㊂本文将CuS 空穴传输层的电子亲和能设置在2.8~3.4eV,相应的VBO 值则在-0.45~0.15eV,电池PCE 的变化情况如图5(a)所示㊂可以看出,随着CuS 电子亲和能的增加,钙钛矿电池的PCE 逐渐增加,并在χHTL ȡ3.1eV 后趋于平缓㊂从图5(b)中可以看出,钙钛矿/CuS 之间的势垒高度随着χHTL 的增大逐渐减小,并在χHTL >3.2eV(即VBO >0)后由 cliff 结构转变成 spike 结构势垒㊂当在界面处形成 cliff 结构时,定义载流子复合的激活能为E a ,此时E a =E g per -VBO ,小于吸光层的带隙E g per ㊂界面复合在器件的复合机制中占据主导地位,并随着VBO 的减小而逐渐减弱[34]㊂因此,电池的PCE 在χHTL <3.1eV 时显著增大㊂当在界面处形成 spike 结构时,此时E a =E g per ,界面复合相对较弱,然而该结构对光生空穴的传输有一定的阻碍[34-35],因此电池PCE 的增加逐渐趋于平缓(见图5(a))㊂当CuS 的电子亲和能取3.3eV(即VBO =0.05eV)时,电池获得最优的PCE(见图5(a))㊂经过上述的分析讨论,本文得出当钙钛矿薄膜的厚度和缺陷态密度分别为400nm 和1015cm -3,两个界面层的缺陷态密度都为1015cm -3,且CuS 的电子亲和能为3.3eV 时,基于CuS 空穴传输层的钙钛矿电池的性能能够得到一定的提高㊂优化后的电池的I-V 曲线如图6所示,其中V oc =1.07V,J sc =22.72mA /cm 2,FF =0.85,PCE =20.64%㊂该PCE 优于目前基于其他铜基空穴传输材料的电池效率[8-9,36],并能与传统的以490㊀研究论文人工晶体学报㊀㊀㊀㊀㊀㊀第52卷Spiro-OMeTAD 作为空穴传输层㊁MAPbI 3作为吸光层的钙钛矿电池的最高PCE 相媲美(22.52%)[37]㊂图5㊀(a)钙钛矿电池的PCE 随着CuS 的电子亲和能的变化;(b)空穴准费米能级图全貌,插图是钙钛矿/空穴传输层界面的局部放大图Fig.5㊀(a)PCE of PSCs with the variation of χHTL ;(b)overall schematic diagram of hole quasi-Fermi level,insets are the partial diagram of perovskite /HTL interfacestructure 图6㊀优化后的钙钛矿电池的I-V 曲线Fig.6㊀I-V curve of PSCs after optimization 3㊀结㊀㊀论本文采用SCAPS-1D 太阳能电池模拟软件,对以SnO 2作为电子传输层㊁CuS 作为空穴传输层的n-i-p 型钙钛矿太阳能电池进行数值模拟㊂仿真结果表明:1)钙钛矿薄膜的厚度增加对提升电池的短路电流密度有很大的帮助㊂然而吸光层厚度过大,也会导致载流子的传输路径增长,从而复合率增加㊂综合考虑,400nm 的厚度即为钙钛矿层的较优厚度参数㊂2)在保证厚度为400nm 左右时,也应控制钙钛矿层的缺陷态密度在1015cm -3以下以减少复合中心的引入,电池的性能更高㊂3)增大界面层的载流子密度时,因载流子的复合机制也取决于非平衡载流子的浓度,而IL1层产生的非平衡载流子浓度高于IL2,故IL1的缺陷态密度的变化程度对电池性能影响更大㊂4)在IL2的缺陷态密度大于1017cm -3时,电池出现 S 形的I-V 特性,控制IL1和IL2的缺陷态密度同时不高于1015cm -3将可获得较高的电池效率㊂5)通过调节CuS 电子亲和能的大小可以调节钙钛矿/空穴传输层界面的势垒高度,当χHTL =3.3eV 时,电池取得了最优的PCE㊂CuS 与传统的Spiro-OMeTAD 空穴传输材料相比,价格便宜且十分稳定,同时相较于其他的铜基材料更易于旋涂在钙钛矿上构建n-i-p 结构电池,具有很好的应用前景㊂优化后的钙钛矿电池取得了>20%的光电㊀第3期黄孝坤等:基于CuS空穴传输材料的钙钛矿电池的性能研究491㊀转换效率㊂本研究结果为基于CuS空穴传输材料的高效钙钛矿电池的结构设计和实验制备提供了理论指导,对其他无机空穴传输层的钙钛矿电池的性能优化也有参考价值㊂参考文献[1]㊀WOLF S D,HOLOVSKY J,MOON S J,et anometallic halide perovskites:sharp optical absorption edge and its relation to photovoltaicperformance[J].The Journal of Physical Chemistry Letters,2014,5(6):1035-1039.[2]㊀WEHRENFENNIG C,EPERON G E,JOHNSTON M B,et al.High charge carrier mobilities and lifetimes in organolead trihalide perovskites[J].Advanced Materials,2014,26(10):1584-1589.[3]㊀STRANKS S D,EPERON G E,GRANCINI G,et al.Electron-hole diffusion lengths exceeding1micrometer in an organometal trihalideperovskite absorber[J].Science,2013,342(6156):341-344.[4]㊀NOH J H,IM S H,HEO J H,et al.Chemical management for colorful,efficient,and stable inorganic-organic hybrid nanostructured solar cells[J].Nano Letters,2013,13(4):1764-1769.[5]㊀NREL.Best research-cell efficiency chart[EB/OL].https:///pv/cell-efficiency.html.[6]㊀SHOCKLEY W,QUEISSER H J.Detailed balance limit of efficiency of p-n junction solar cells[J].Journal of Applied Physics,1961,32(3):510-519.[7]㊀CHRISTIANS J A,FUNG R C M,KAMAT P V.An inorganic hole conductor for organo-lead halide perovskite solar cells.Improved holeconductivity with copper iodide[J].Journal of the American Chemical Society,2014,136(2):758-764.[8]㊀ARORA N,DAR M I,HINDERHOFER A,et al.Perovskite solar cells with CuSCN hole extraction layers yield stabilized efficiencies greaterthan20[J].Science,2017,358(6364):768-771.[9]㊀LIU C,ZHOU X Y,CHEN S M,et al.Hydrophobic Cu2O quantum dots enabled by surfactant modification as top hole-transport materials forefficient perovskite solar cells[J].Advanced Science,2019,6(7):1801169.[10]㊀SHAIKH J S,SHAIKH N S,MISHRA Y K,et al.Low-cost Cu-based inorganic hole transporting materials in perovskite solar cells:recentprogress and state-of-art developments[J].Materials Today Chemistry,2021,20:100427.[11]㊀YE T L,SUN X C,ZHANG X R,et al.Recent advances of Cu-based hole transport materials and their interface engineering concerning differentprocessing methods in perovskite solar cells[J].Journal of Energy Chemistry,2021,62:459-476.[12]㊀TIRADO J,ROLDÁN-CARMONA C,MUÑOZ-GUERRERO F A,et al.Copper sulfide nanoparticles as hole-transporting-material in a fully-inorganic blocking layers n-i-p perovskite solar cells:application and working insights[J].Applied Surface Science,2019,478:607-614.[13]㊀GHRIBI F,ALYAMANI A,AYADI Z B,et al.Study of CuS thin films for solar cell applications sputtered from nanoparticles synthesised byhydrothermal route[J].Energy Procedia,2015,84:197-203.[14]㊀KALANUR S S,SEO H.Synthesis of Cu x S thin films with tunable localized surface plasmon resonances[J].ChemistrySelect,2018,3(21):5920-5926.[15]㊀PATIL S A,MENGAL N,MEMON A A,et al.CuS thin film grown using the one pot,solution-process method for dye-sensitized solar cellapplications[J].Journal of Alloys and Compounds,2017,708:568-574.[16]㊀AHMAD K,RAZA W,KHAN R A,et al.Numerical simulation of NH3(CH2)2NH3MnCl4based Pb-free perovskite solar cells via SCAPS-1D[J].Nanomaterials,2022,12(19):3407.[17]㊀李清流,甘永进,覃斌毅,等.基于Cu2O和SnO2的钙钛矿太阳电池数值模拟[J].电源技术,2020,44(9):1321-1323+1359.LI Q L,GAN Y J,QIN B Y,et al.Numerical simulation of perovskite solar cell based on Cu2O and SnO2[J].Chinese Journal of Power Sources,2020,44(9):1321-1323+1359(in Chinese).[18]㊀LEE M M,TEUSCHER J,MIYASAKA T,et al.Efficient hybrid solar cells based on meso-superstructured organometal halide perovskites[J].Science,2012,338(6107):643-647.[19]㊀ABNAVI H,MARAM D K,ABNAVI A.Performance analysis of several electron/hole transport layers in thin film MAPbI3-based perovskite solarcells:a simulation study[J].Optical Materials,2021,118:111258.[20]㊀HIRASAWA M,ISHIHARA T,GOTO T,et al.Magnetoabsorption of the lowest exciton in perovskite-type compound(CH3NH3)PbI3[J].Physica B:Condensed Matter,1994,201:427-430.[21]㊀LIN L Y,JIANG L Q,LI P,et al.A modeled perovskite solar cell structure with a Cu2O hole-transporting layer enabling over20%efficiency bylow-cost low-temperature processing[J].Journal of Physics and Chemistry of Solids,2019,124:205-211.[22]㊀HAIDER S Z,ANWAR H,WANG M Q.Theoretical device engineering for high-performance perovskite solar cells using CuSCN as hole transportmaterial boost the efficiency above25%[J].Physica Status Solidi(a),2019,216(11):1900102.[23]㊀HAIDER M I,FAKHARUDDIN A,AHMED S,et al.Modulating defect density of NiO hole transport layer via tuning interfacial oxygenstoichiometry in perovskite solar cells[J].Solar Energy,2022,233:326-336.[24]㊀WU Y Z,ISLAM A,YANG X D,et al.Retarding the crystallization of PbI2for highly reproducible planar-structured perovskite solar cells via492㊀研究论文人工晶体学报㊀㊀㊀㊀㊀㊀第52卷sequential deposition[J].Energy&Environmental Science,2014,7(9):2934-2938.[25]㊀YANG S,DAI J,YU Z H,et al.Tailoring passivation molecular structures for extremely small open-circuit voltage loss in perovskite solar cells[J].Journal of the American Chemical Society,2019,141(14):5781-5787.[26]㊀ABATE A,SALIBA M,HOLLMAN D J,et al.Supramolecular halogen bond passivation of organic-inorganic halide perovskite solar cells[J].Nano Letters,2014,14(6):3247-3254.[27]㊀CHEN J Z,SEO J Y,PARK N G.Simultaneous improvement of photovoltaic performance and stability by in situ formation of2D perovskite at(FAPbI3)0.88(CsPbBr3)0.12/CuSCN interface[J].Advanced Energy Materials,2018,8(12):1702714.[28]㊀TAN K,LIN P,WANG G,et al.Controllable design of solid-state perovskite solar cells by SCAPS device simulation[J].Solid-StateElectronics,2016,126:75-80.[29]㊀XIONG L B,GUO Y X,WEN J,et al.Review on the application of SnO2in perovskite solar cells[J].Advanced Functional Materials,2018,28(35):1802757.[30]㊀SAIVE R.S-shaped current-voltage characteristics in solar cells:a review[J].IEEE Journal of Photovoltaics,2019,9(6):1477-1484.[31]㊀SADHU A,RAI M,SALIM T,et al.Dual role of Cu-chalcogenide as hole-transporting layer and interface passivator for p-i-n architectureperovskite solar cell[J].Advanced Functional Materials,2021,31(38):2103807.[32]㊀CASTELLANOS-ÁGUILA J E,LODEIRO L,MENÉNDEZ-PROUPIN E,et al.Atomic-scale model and electronic structure of Cu2O/CH3NH3PbI3interfaces in perovskite solar cells[J].ACS Applied Materials&Interfaces,2020,12(40):44648-44657.[33]㊀ABDELAZIZ S,ZEKRY A,SHAKER A,et al.Investigating the performance of formamidinium tin-based perovskite solar cell by SCAPS devicesimulation[J].Optical Materials,2020,101:109738.[34]㊀甘永进,蒋曲博,覃斌毅,等.锡基钙钛矿太阳能电池载流子传输层的探讨[J].物理学报,2021,70(3):038801.GAN Y J,JIANG Q B,QIN B Y,et al.Carrier transport layers of tin-based perovskite solar cells[J].Acta Physica Sinica,2021,70(3): 038801(in Chinese).[35]㊀BANSAL S,ARYAL P.Evaluation of new materials for electron and hole transport layers in perovskite-based solar cells through SCAPS-1Dsimulations[C]//2016IEEE43rd Photovoltaic Specialists Conference(PVSC).June5-10,2016,Portland,OR,USA.IEEE,2016:747-750.[36]㊀WANG H X,YU Z,JIANG X,et al.Efficient and stable inverted planar perovskite solar cells employing CuI as hole-transporting layer preparedby solid-gas transformation[J].Energy Technology,2017,5(10):1836-1843.[37]㊀ZHUANG X M,SUN R,ZHOU D L,et al.Synergistic effects of multifunctional lanthanides doped CsPbBrCl2quantum dots for efficient andstable MAPbI3perovskite solar cells[J].Advanced Functional Materials,2022,32(18):2110346.。

无锡2024年06版小学6年级上册第二次英语第五单元测验试卷

无锡2024年06版小学6年级上册第二次英语第五单元测验试卷

无锡2024年06版小学6年级上册英语第五单元测验试卷考试时间:100分钟(总分:100)B卷一、综合题(共计100题共100分)1. 选择题:How many eyes does a typical person have?A. OneB. TwoC. ThreeD. Four2. 填空题:I enjoy making new adventures with my toy ________ (玩具名称).3. 选择题:What do we call the tallest mountain in the world?A. K2B. KilimanjaroC. EverestD. Denali4. 听力题:The ______ is known for its beautiful song.5. 选择题:What is 6 x 2?A. 12B. 10C. 8D. 146. 填空题:A __________ (无机化合物) does not primarily contain carbon.What do you call the study of living organisms?A. AstronomyB. BiologyC. ChemistryD. Physics答案: B8. 听力题:The elephant is a large ______ (animal).9. 填空题:During family gatherings, we share funny _______ (故事). It always makes us laugh.10. 填空题:My __________ (玩具名) is my trusty __________ (名词).11. 听力题:The chemical formula for selenium dioxide is _____.12. 听力题:What do you want for ________?13. 选择题:What is the opposite of 'light'?A. BrightB. HeavyC. DarkD. Clear答案:C14. 选择题:What do we call the process by which plants make their own food?A. DigestionB. PhotosynthesisC. RespirationD. Fertilization答案:B为下列对话选择相符的图片。

中国诺奖级别新科技—量子反常霍尔效应英语

中国诺奖级别新科技—量子反常霍尔效应英语

中国诺奖级别新科技—量子反常霍尔效应英语全文共6篇示例,供读者参考篇1The Magical World of Quantum PhysicsHave you ever heard of something called quantum physics? It's a fancy word that describes the weird and wonderful world of tiny, tiny particles called atoms and electrons. These particles are so small that they behave in ways that seem almost magical!One of the most important discoveries in quantum physics is something called the Quantum Anomalous Hall Effect. It's a mouthful, I know, but let me try to explain it to you in a way that's easy to understand.Imagine a road, but instead of cars driving on it, you have electrons zipping along. Now, normally, these electrons would bump into each other and get all mixed up, just like cars in a traffic jam. But with the Quantum Anomalous Hall Effect, something special happens.Picture a big, strong police officer standing in the middle of the road. This police officer has a magical power – he can makeall the electrons go in the same direction, without any bumping or mixing up! It's like he's directing traffic, but for tiny particles instead of cars.Now, you might be wondering, "Why is this so important?" Well, let me tell you! Having all the electrons moving in the same direction without any resistance means that we can send information and electricity much more efficiently. It's like having a super-smooth highway for the electrons to travel on, without any potholes or roadblocks.This discovery was made by a team of brilliant Chinese scientists, and it's so important that they might even win a Nobel Prize for it! The Nobel Prize is like the Olympic gold medal of science – it's the highest honor a scientist can receive.But the Quantum Anomalous Hall Effect isn't just about winning awards; it has the potential to change the world! With this technology, we could create faster and more powerful computers, better ways to store and transfer information, and even new types of energy篇2China's Super Cool New Science Discovery - The Quantum Anomalous Hall EffectHey there, kids! Have you ever heard of something called the "Quantum Anomalous Hall Effect"? It's a really cool andmind-boggling scientific discovery that scientists in China have recently made. Get ready to have your mind blown!Imagine a world where electricity flows without any resistance, like a river without any rocks or obstacles in its way. That's basically what the Quantum Anomalous Hall Effect is all about! It's a phenomenon where electrons (the tiny particles that carry electricity) can flow through a material without any resistance or energy loss. Isn't that amazing?Now, you might be wondering, "Why is this such a big deal?" Well, let me tell you! In our regular everyday world, when electricity flows through materials like wires or circuits, there's always some resistance. This resistance causes energy to be lost as heat, which is why your phone or computer gets warm when you use them for a long time.But with the Quantum Anomalous Hall Effect, the electrons can flow without any resistance at all! It's like they're gliding effortlessly through the material, without any obstacles or bumps in their way. This means that we could potentially have electronic devices and circuits that don't generate any heat or waste any energy. How cool is that?The scientists in China who discovered this effect were studying a special kind of material called a "topological insulator." These materials are like a secret passageway for electrons, allowing them to flow along the surface without any resistance, while preventing them from passing through the inside.Imagine a river flowing on top of a giant sheet of ice. The water can flow freely on the surface, but it can't pass through the solid ice underneath. That's kind of how these topological insulators work, except with electrons instead of water.The Quantum Anomalous Hall Effect happens when these topological insulators are exposed to a powerful magnetic field. This magnetic field creates a special condition where the electrons can flow along the surface without any resistance at all, even at room temperature!Now, you might be thinking, "That's all well and good, but what does this mean for me?" Well, this discovery could lead to some pretty amazing things! Imagine having computers and electronic devices that never overheat or waste energy. You could play video games or watch movies for hours and hours without your devices getting hot or draining their batteries.But that's not all! The Quantum Anomalous Hall Effect could also lead to new and improved ways of generating, storing, and transmitting energy. We could have more efficient solar panels, better batteries, and even a way to transmit electricity over long distances without any energy loss.Scientists all around the world are really excited about this discovery because it opens up a whole new world of possibilities for technology and innovation. Who knows what kind of cool gadgets and devices we might see in the future thanks to the Quantum Anomalous Hall Effect?So, there you have it, kids! The Quantum Anomalous Hall Effect is a super cool and groundbreaking scientific discovery that could change the way we think about electronics, energy, and technology. It's like something straight out of a science fiction movie, but it's real and happening right here in China!Who knows, maybe one day you'll grow up to be a scientist and help us unlock even more amazing secrets of the quantum world. Until then, keep learning, keep exploring, and keep being curious about the incredible wonders of science!篇3The Wonderful World of Quantum Physics: A Journey into the Quantum Anomalous Hall EffectHave you ever heard of something called quantum physics? It's a fascinating field that explores the strange and mysterious world of tiny particles called atoms and even smaller things called subatomic particles. Imagine a world where the rules we're used to in our everyday lives don't quite apply! That's the world of quantum physics, and it's full of mind-boggling discoveries and incredible phenomena.One of the most exciting and recent breakthroughs in quantum physics comes from a team of brilliant Chinese scientists. They've discovered something called the Quantum Anomalous Hall Effect, and it's like a magic trick that could change the way we think about technology!Let me start by telling you a bit about electricity. You know how when you turn on a light switch, the bulb lights up? That's because electricity is flowing through the wires and into the bulb. But did you know that electricity is actually made up of tiny particles called electrons? These electrons flow through materials like metals and give us the electricity we use every day.Now, imagine if we could control the flow of these electrons in a very precise way, like directing them to move in a specificdirection without any external forces like magnets or electric fields. That's exactly what the Quantum Anomalous Hall Effect allows us to do!You see, in most materials, electrons can move in any direction, like a group of kids running around a playground. But in materials that exhibit the Quantum Anomalous Hall Effect, the electrons are forced to move in a specific direction, like a group of kids all running in a straight line without any adults telling them where to go!This might not seem like a big deal, but it's actually a huge deal in the world of quantum physics and technology. By controlling the flow of electrons so precisely, we can create incredibly efficient electronic devices and even build powerful quantum computers that can solve problems much faster than regular computers.The Chinese scientists who discovered the Quantum Anomalous Hall Effect used a special material called a topological insulator. This material is like a magician's hat – it looks ordinary on the outside, but it has some really weird and wonderful properties on the inside.Inside a topological insulator, the electrons behave in a very strange way. They can move freely on the surface of the material, but they can't move through the inside. It's like having篇4The Coolest New Science from China: Quantum Anomalous Hall EffectHey kids! Have you ever heard of something called the Quantum Anomalous Hall Effect? It's one of the most amazing new scientific discoveries to come out of China. And get this - some scientists think it could lead to a Nobel Prize! How cool is that?I know, I know, the name sounds kind of weird and complicated. But trust me, once you understand what it is, you'll think it's just as awesome as I do. It's all about controlling the movement of tiny, tiny particles called electrons using quantum physics and powerful magnetic fields.What's Quantum Physics?Before we dive into the Anomalous Hall Effect itself, we need to talk about quantum physics for a second. Quantum physics is sort of like the secret rules that govern how the smallest things inthe universe behave - things too tiny for us to even see with our eyes!You know how sometimes grown-ups say things like "You can't be in two places at once"? Well, in the quantum world, particles actually can be in multiple places at the same time! They behave in ways that just seem totally bizarre and counterintuitive to us. That's quantum physics for you.And get this - not only can quantum particles be in multiple places at once, but they also spin around like tops! Electrons, which are one type of quantum particle, have this crazy quantum spin that makes them act sort of like tiny magnets. Mind-blowing, right?The Weirder Than Weird Hall EffectOkay, so now that we've covered some quantum basics, we can talk about the Hall Effect. The regular old Hall Effect was discovered way back in 1879 by this dude named Edwin Hall (hence the name).Here's how it works: if you take a metal and apply a magnetic field to it while also running an electrical current through it, the magnetic field will actually deflect the flow of electrons in the metal to one side. Weird, huh?Scientists use the Hall Effect in all kinds of handy devices like sensors, computer chips, and even machines that can shoot out a deadly beam of radiation (just kidding on that last one...I think). But the regular Hall Effect has one big downside - it only works at incredibly cold temperatures near absolute zero. Not very practical!The Anomalous Hall EffectThis is where the new Quantum Anomalous Hall Effect discovered by scientists in China comes into play. They found a way to get the same cool electron-deflecting properties of the Hall Effect, but at much higher, more realistic temperatures. And they did it using some crazy quantum physics tricks.You see, the researchers used special materials called topological insulators that have insulating interiors but highly conductive surfaces. By sandwiching these topological insulators between two layers of magnets, they were able to produce a strange quantum phenomenon.Electrons on the surface of the materials started moving in one direction without any external energy needed to keep them going! It's like they created a perpetual motion machine for electrons on a quantum scale. The spinning quantum particlesget deflected by the magnetic layers and start flowing in weird looping patterns without any resistance.Why It's So AwesomeSo why is this Quantum Anomalous Hall Effect such a big deal? A few reasons:It could lead to way more efficient electronics that don't waste energy through heat and resistance like current devices do. Just imagine a computer chip that works with virtually no power at all!The effect allows for extremely precise control over the movement of electrons, which could unlock all kinds of crazy quantum computing applications we can barely even imagine yet.It gives scientists a totally new window into understanding the bizarre quantum realm and the funky behavior of particles at that scale.The materials used are relatively inexpensive and common compared to other cutting-edge quantum materials. So this isn't just a cool novelty - it could actually be commercialized one day.Some Science Celebrities Think It's Nobel-WorthyLots of big-shot scientists around the world are going gaga over this Quantum Anomalous Hall Effect discovered by the researchers in China. A few have even said they think it deserves a Nobel Prize!Now, as cool as that would be, we have to remember that not everyone agrees it's Nobel-level just yet. Science moves slow and there's always a ton of debate over what discoveries are truly groundbreaking enough to earn that high honor.But one thing's for sure - this effect is yet another example of how China is becoming a global powerhouse when it comes to cutting-edge physics and scientific research. Those Chinese scientists are really giving their counterparts in the US, Europe, and elsewhere a run for their money!The Future is QuantumWhether the Quantum Anomalous Hall Effect leads to a Nobel or not, one thing is certain - we're entering an age where quantum physics is going to transform technology in ways we can barely fathom right now.From quantum computers that could solve problems millions of times faster than today's machines, to quantum sensors that could detect even the faintest subatomic particles,to quantum encryption that would make data unhackable, this strange realm of quantum physics is going to change everything.So pay attention, kids! Quantum physics may seem like some weird, headache-inducing mumbo-jumbo now. But understanding these bizarre quantum phenomena could be the key to unlocking all the super-cool technologies of the future. Who knows, maybe one of you reading this could even grow up to be a famous quantum physicist yourselves!Either way, keep your eyes peeled for more wild quantum discoveries emerging from China and other science hotspots around the globe. The quantum revolution is coming, and based on amazing feats like the Anomalous Hall Effect, it's going to be one heckuva ride!篇5Whoa, Dudes! You'll Never Believe the Insanely Cool Quantum Tech from China!Hey there, kids! Get ready to have your minds totally blown by the most awesome scientific discovery ever - the quantum anomalous Hall effect! I know, I know, it sounds like a bunch of big, boring words, but trust me, this stuff is straight-upmind-blowing.First things first, let's talk about what "quantum" means. You know how everything in the universe is made up of tiny, tiny particles, right? Well, quantum is all about studying those teeny-weeny particles and how they behave. It's like a whole secret world that's too small for us to see with our eyes, but scientists can still figure it out with their mega-smart brains and super-powerful microscopes.Now, let's move on to the "anomalous Hall effect" part. Imagine you're a little electron (that's one of those tiny particles I was telling you about) and you're trying to cross a busy street. But instead of just going straight across, you get pushed to the side by some invisible force. That's kind of what the Hall effect is all about - electrons getting pushed sideways instead of going straight.But here's where it gets really cool: the "anomalous" part means that these electrons are getting pushed sideways even when there's no magnetic field around! Normally, you'd need a powerful magnet to make electrons move like that, but with this new quantum technology, they're doing it all by themselves. It's like they've got their own secret superpowers or something!Now, you might be wondering, "Why should I care about some silly electrons moving around?" Well, let me tell you, thisdiscovery is a huge deal! You see, scientists have been trying to figure out how to control the flow of electrons for ages. It's kind of like trying to herd a bunch of rowdy puppies - those little guys just want to go wherever they want!But with this new quantum anomalous Hall effect, scientists in China have finally cracked the code. They've found a way to make electrons move in a specific direction without any external forces. That means they can control the flow of electricity like never before!Imagine having a computer that never overheats, or a smartphone that never runs out of battery. With this new technology, we could create super-efficient electronic devices that waste way less energy. It's like having a magical power switch that can turn on and off the flow of electrons with just a flick of a wrist!And that's not even the coolest part! You know how sometimes your electronics get all glitchy and stop working properly? Well, with this quantum tech, those problems could be a thing of the past. See, the anomalous Hall effect happens in special materials called "topological insulators," which are like super-highways for electrons. No matter how many twists andturns they take, those little guys can't get lost or stuck in traffic jams.It's like having a navigation system that's so good, you could close your eyes and still end up at the right destination every single time. Pretty neat, huh?But wait, there's more! Scientists are also exploring the possibility of using this new technology for quantum computing. Now, I know you're probably thinking, "What the heck is quantum computing?" Well, let me break it down for you.You know how regular computers use ones and zeros to process information, right? Well, quantum computers use something called "qubits," which can exist as both one and zero at the same time. It's like having a coin that's heads and tails at the same exact moment - totally mind-boggling, I know!With this quantum anomalous Hall effect, scientists might be able to create super-stable qubits that can perform insanely complex calculations in the blink of an eye. We're talking about solving problems that would take regular computers millions of years to figure out. Imagine being able to predict the weather with 100% accuracy, or finding the cure for every disease known to humankind!So, what do you say, kids? Are you as pumped about this as I am? I know it might seem like a lot of mumbo-jumbo right now, but trust me, this is the kind of stuff that's going to change the world as we know it. Who knows, maybe one day you'll be the one working on the next big quantum breakthrough!In the meantime, keep your eyes peeled for more news about this amazing discovery from China. And remember, even though science can be super complicated sometimes, it's always worth paying attention to. After all, you never know when the next mind-blowing quantum secret might be revealed!篇6Title: A Magical Discovery in the World of Tiny Particles!Have you ever heard of something called the "Quantum Anomalous Hall Effect"? It might sound like a tongue twister, but it's actually a super cool new technology that was recently discovered by scientists in China!Imagine a world where everything is made up of tiny, tiny particles called atoms. These atoms are so small that you can't see them with your bare eyes, but they're the building blocks that make up everything around us – from the chair you're sitting on to the air you breathe.Now, these atoms can do some pretty amazing things when they're arranged in certain ways. Scientists have found that if they create special materials where the atoms are arranged just right, they can make something called an "electrical current" flow through the material without any resistance!You might be wondering, "What's so special about that?" Well, let me explain! Usually, when electricity flows through a material like a metal wire, it faces something called "resistance." This resistance makes it harder for the electricity to flow, kind of like trying to run through a thick forest – it's tough and you get slowed down.But with this new Quantum Anomalous Hall Effect, the electricity can flow through the special material without any resistance at all! It's like having a wide-open road with no obstacles, allowing the electricity to zoom through without any trouble.So, how does this magical effect work? It all comes down to the behavior of those tiny atoms and the way they interact with each other. You see, in these special materials, the atoms are arranged in a way that creates a kind of "force field" that protects the flow of electricity from any resistance.Imagine you're a tiny particle of electricity, and you're trying to move through this material. As you move, you encounter these force fields created by the atoms. Instead of slowing you down, these force fields actually guide you along a specific path, almost like having a team of tiny helpers clearing the way for you!This effect was discovered by a group of brilliant scientists in China, and it's considered a huge breakthrough in the field of quantum physics (the study of really, really small things). It could lead to all sorts of amazing technologies, like super-fast computers and more efficient ways to transmit electricity.But that's not all! This discovery is also important because it proves that China is at the forefront of cutting-edge scientific research. The scientists who made this discovery are being hailed as potential Nobel Prize winners, which is one of the highest honors a scientist can receive.Isn't it amazing how these tiny, invisible particles can do such incredible things? The world of science is full ofmind-blowing discoveries, and the Quantum Anomalous Hall Effect is just one example of the amazing things that can happen when brilliant minds come together to explore the mysteries of the universe.So, the next time you hear someone mention the "Quantum Anomalous Hall Effect," you can proudly say, "Oh, I know all about that! It's a magical discovery that allows electricity to flow without any resistance, and it was made by amazing Chinese scientists!" Who knows, maybe one day you'll be the one making groundbreaking discoveries like this!。

Zeeman Electric-Dipole Resonance in Antiferromagnetic Conductors

Zeeman Electric-Dipole Resonance in Antiferromagnetic Conductors

a r X i v :0808.3946v 1 [c o n d -m a t .s t r -e l ] 28 A u g 2008Zeeman Electric-Dipole Resonance in Antiferromagnetic ConductorsRevaz RamazashviliENS,LPTMS,UMR8626,Bˆa t.100,Universit´e Paris-Sud,F-91405Orsay,France(Dated:August 28,2008)Antiferromagnetism entangles electron spin with its orbital motion.This allows excitation of spin-flip transitions by AC electric rather than magnetic field,with absorption intensity,exceeding that of common electron spin resonance at least by four orders of magnitude.In addition to potential applications,this phenomenon may be used as a spectroscopy to study antiferromagnetic materials from chromium to borocarbides,cuprates,pnictides,organic and heavy fermion conductors.PACS numbers:Broad research effort has been underway [1,2,3]to build a new generation of electronic devices,that would manipulate and monitor carrier spin and charge on an equal footing.Magnetic semiconductors [4,5]and gi-ant magnetoresistance materials [6],as well as semicon-ductors with spin-orbit interaction [7],have been much scrutinized with this goal in mind.By contrast,antiferromagnets have enjoyed far less at-tention in this context.Below,I show that,in fact,they may prove useful for spin manipulation by electric field,as antiferromagnetism entangles electron spin with its orbital motion.This entanglement manifests itself es-pecially vividly in a magnetic field,where it takes the form of anisotropic Zeeman coupling with momentum-dependent g -tensor.This dependence turns a common Zeeman term into a Zeeman spin-orbit interaction H ZSO :H ZSO =−µB g ||(H ||·σ)+g ⊥(p )(H ⊥·σ).(1)Hereafter,H ||=(H ·n )n and H ⊥=H −H ||are the longitudinal and the transverse components of magnetic field H with respect to unit vector n of staggered mag-netisation,µB is the Bohr magneton,while g ||and g ⊥(p )are the longitudinal and the transverse components of the g -tensor.Generally,g ||may be considered constant,whereas g ⊥(p )has a manifold of zeroes in momentum space,and thus substantially depends on momentum [8,9,10].This remarkable fact is dictated by symme-try of antiferromagnetic state [8,10],and gives rise to a number of interesting effects.One such effect amounts to excitation of spin flip tran-sitions by AC electric field,with resonance absorption ex-ceeding that of common electron spin resonance (ESR)by over four orders of magnitude.I study this phenomenon in the following pages,focusing on a single example,that both illustrates the effect in question and may be rele-vant to some of the antiferromagnetic conductors of cur-rent interest:a weakly-doped two-dimensional antiferro-magnetic insulator on a simple square lattice,with the conduction band minimum at the center Σof the mag-netic Brillouin zone (MBZ)boundary,as shown in Fig.1(a).The magnetic field is assumed small on the scale of the electron excitation gap ∆,and thus not perturbing antiferromagnetic order.The effects of interest are most vivid for the stag-gered magnetisation axis n pointing along the conductingplane,and for magnetic field H nearly normal to n ;the latter happens already in a weak field due to spin-flop.It is this very geometry that I consider everywhere below;orientation of the field with respect to the conducting plane may be arbitrary,as shown in Fig.1(b).At low doping,carriers concentrate in a small vicinity of the band minimum Σ,and the Hamiltonian can be ex-panded around it.By symmetry,g ⊥(p )in H ZSO (1)van-ishes upon approaching the MBZ boundary,linearly in ageneric case [10]–and can be recast as g ⊥(p )=g ||p yξ≪1.Here,p y is the componentof momentum deviation from the band minimum,locally transverse to the MBZ boundary,as shown in Fig.1(a).The length scale ξis of the order of the antiferromagnetic coherence length,and may be of the order of the lattice constant or much greater [10].Near the band minumum,the kinetic energy is quadratic in p ;for simplicity,I consider isotropic effec-tive mass m ,and define Ω≡µB g H .In a field at a finite angle with the conducting plane,the Hamiltonian readsH =1c A 2−(Ω ·σ)−ξc A y(Ω⊥·σ),(2)where A is the electromagnetic vector potential [11].In a purely transverse field (Ω||=0),the up-and the down-spin projections onto Ω⊥decouple and have identical Landau spectra:E n = Ω0n +1mcis the cyclotron frequency,and H n is thenormal component of the field with respect to the con-ducting plane.This degeneracy becomes explicit upon completing the square in (2)with respect to [p −emξ2FIG.1:Geometry of the problem (color online).(a)The Brillouin zone of a N´e el antiferromagnet on a simple square lattice,and its magnetic Brillouin zone (MBZ,shaded diago-nal square).The line of zero g ⊥(p )must contain the entire MBZ boundary,shown in red online.Point Γis the Brillouin zone center,point Σis the center of the MBZ boundary,where the conduction band minimum is assumed to occur,and p y is the component of the momentum deviation from the mini-mum,locally transverse to the MBZ boundary.(b)Real-space geometry:staggered magnetisation axis n ,pointing along the conduction plane,and nearly transverse magnetic field H ,here drawn normal to n ;components H ⊥and H n are normal to n and to the conducting plane,respectively.In Landau gauge A =(0,xH n ),spin degeneracy in a transverse field acquires a simple interpretation:as shown in Fig.2,the guiding orbit centers of the spin-up and the spin-down states split apart along the ˆx directionin real space,by distance λ≡2ξΩ⊥2along the ˆy -axis in the conducting plane:˜Ω||=Ω||cos2y Ω⊥ +n ⊥×Ω||sin 2yΩ⊥ ,(5)where n ⊥is a unit vector along Ω⊥.It is helpful torecastλFIG.2:Splitting of degenerate spin states in real space (coloronline):the spin ‘up’state Ψ↑(x )and the spin ‘down’state Ψ↓(x )at the lowest Landau level,with the spin quantization axis chosen along Ω⊥.In a purely transverse field (Ω||=0),the two wave functions remain degenerate,but split by distance λ=2ξΩ⊥√l H−p x l Hi√ ,where l H =eH n is the magnetic length.Now,Hamiltonian (2)readsH = Ω0a +a +1l HΩ⊥l HΩ⊥Ω0between the guidingorbit centers exceeds the wave function size l H√3spatial oscillation of the two wavefunctions for n >0.Momentum dependence of g ⊥(p )has a spectacular spec-E nΩFIG.3:Spin splitting of Landau levels (color online).The first two Landau levels E n ,spin-split by longitudinal field Ω||=Ω0/6,are shown in units of Ω0as a function of ζ=ξΩ0.The levels were obtained by numerical solution of Hamiltonian (6),truncatedto the lowest six levels.SolidarrowindicatesZEDR transition at the lowest Landau level,whereas the dashed arrow corresponds to the cyclotron reso-nance transition from the lowest to the first Landau level.troscopic manifestation:excitation of spin flip transitions by AC electric field –the very same transitions,that are normally excited by AC magnetic field in an electron spin resonance (ESR)experiment.I refer to this phenomenon as to Zeeman Electric-Dipole Resonance (ZEDR),to note its similarity with Electric-Dipole Spin Resonance (EDSR)in semiconduc-tors and semiconducting heterostructures with spin-orbit interaction [13].To study the effect,notice that uniformAC electric field E ytalong the ˆy -axis couples to the y -component ey =el H a +a +2of the dipole moment.As a result,in field E yt ,Hamiltonian (6)turns intoH = Ω0a +a +1√n +1n +1.Weak longitudinal field Ω||≪ Ω0changes this pic-ture,as (˜Ω||·σ)couples the spin to orbital motion.As a result,n -th Landau level eigenstate |nα with spin pro-jection αon the direction of Ω||acquires a small admix-ture of other states |mβ ,and AC electric field begins to induce a number of previously forbidden transitions.Here,I restrict myself to spin flip transitions within the same Landau level [14],excited by AC electric field (see Fig.(3)).Treating admixture of other Landau levelsto first order in (˜Ω||·σ),one finds [15]the ZEDR matrix element M ZEDR = n ↑|eyE yt |n ↓ :M ZEDR =−2eξE ytΩΩ0L n (2ζ2)exp −ζ2,(10)where ζ≡ξΩ0.Apart from the angular dependence on the orientation of the field with respect to the conducting plane and the staggered magnetization,ZEDR matrix elements are defined simply by the length scale ξ.Being at least of the order of the lattice spacing,in a weakly coupled spin density wave antiferromagnet ξ∼ v F /∆[10]may reach a 10nm scale.For comparison,cyclotron resonance matrix elements in a field of one Tesla are set by l H ≈26nm.At the same time,ESR matrix elements are defined by the Compton length λC =λC=1a B ,where a B =2α=cǫF,becomes of the same order of magnitude,as that of cy-clotron resonance –as suggested by Eqns.(9-10)[16].For materials with ∆≪ǫF ,this crossover scale is small compared with ∆,which means that ZEDR intensity may exceed that of cyclotron resonance while the field is still4 much smaller than∆,and thus does not perturb the an-tiferromagnetic order.This makes an antiferromagneticconductor with a small ratio∆l H i2≪1.[15]ZEDR has been predicted by the present author in Sov.Phys.JETP73,505(1991).However,the result for ab-sorption in a quantizing magneticfield,given in this ar-ticle,is in error:it overlooks the fact,that both the Lan-dau level splitting and the absorption vanish in a purelytransversefield(H||=0).[16]At the samefield Ω0∼∆2。

由纳米棒和纳米叶组成的铁磁性的MnSb薄膜(英文)

由纳米棒和纳米叶组成的铁磁性的MnSb薄膜(英文)

由纳米棒和纳米叶组成的铁磁性的MnSb薄膜(英文)
戴瑞烜;陈诺夫;张兴旺;彭长涛;吴金良
【期刊名称】《半导体学报:英文版》
【年(卷),期】2007(28)5
【摘要】提供了一种利用物理蒸发沉积技术在单晶硅上生长纳米尺度的MnSb薄膜的方法.X射线衍射分析表明薄膜的主要成分是MnSb合金.场发射扫描电镜观察到薄膜是由纳米尺寸的棒状物和叶状物组成.纳米棒的平均直径为20nm,长度在几百纳米范围内.纳米叶的厚度大约为20nm,宽度为100nm左右.用可变梯度磁力计测量了薄膜的磁滞回线,结果显示薄膜有很强的几何各向异性.
【总页数】4页(P661-664)
【关键词】铁磁性;MnSb;纳米棒和纳米叶;物理气相沉积
【作者】戴瑞烜;陈诺夫;张兴旺;彭长涛;吴金良
【作者单位】中国科学院半导体研究所材料重点实验室
【正文语种】中文
【中图分类】TN304.054
【相关文献】
1.TiO2纳米颗粒/纳米棒阵列复合薄膜的制备及其光电催化性能 [J], 郝丽娜;于乐;赵尹;王竹仪;任鑫;张美红;施利毅;袁帅
2.Ba_4In_2O_7纳米棒薄膜的制备与光催化性能(英文) [J], 王淑芬;涂江平;袁永锋;张呈乾;李开帆
3.以CuCl纳米棒薄膜为前驱体制备CuS纳米/微米管和CuO纳米/微米晶薄膜[J], 王群;徐爽;王科技;张博;李国栋
4.柔性有序ZnO纳米棒/TiO_2纳米粒子复合薄膜的制备及其光电转换性能研究[J], 王晓飞;刘文武;卢辉;郭敏
5.TiO_2纳米颗粒/纳米棒阵列复合薄膜的制备及其光电催化性能 [J], 郝丽娜;于乐;赵尹;王竹仪;任鑫;张美红;施利毅;袁帅
因版权原因,仅展示原文概要,查看原文内容请购买。

基于第一性原理的钙钛矿材料空位缺陷研究

基于第一性原理的钙钛矿材料空位缺陷研究
2 模型构建和计算方法
如图 1所示,有机无机钙钛矿是四方结构,其 晶格 常 数 为 a=876,b=879,c=12957,α= β=γ=90°[18]。在本文中,首先构建了 1×2×1 超晶胞模型,在超晶胞模型中含有 96个原子,8 个 Pb原子、24个 I原子,以及 8个CH3CH3+分子 团。然后,在本征钙钛矿模型结构的基础上,分别 去掉了一个 Pb原子和 I原子,从而得到了浓度为 1/96的 Pb和 I空位缺陷型钙钛矿结构模型,这 与实验中钙钛矿材料所处的较低空位浓度环境条 件相一致,确保了本文结论的适用性。
(西安电子科技大学 微电子学院,陕西 西安 710071)
摘要:为了获得优异的钙钛矿材料,本文系统地研究有机无机杂化钙钛矿材料(CH3NH3PbI3)的电子结构和光学特性, 同时探究了空位缺陷对其光学性质的影响。首先,采用 MaterialsStudio软件构建本征钙钛矿材料的电子结构,并基于广 义梯度近似的方法(GGA)和 PerdewBurkerErnzerhof(PBE)泛函,优化其电子结构并计算本征钙钛矿材料的电学和光学 特性。通过采用范德华力修正,解决了密度泛函理论低估带隙的问题,得到准确的带隙。其次,研究不同的空位缺陷(Pb 空位和 I空位缺陷)对钙钛矿材料的电子结构的影响,并计算其能带、态密度和光学性质。最后通过对比本征钙钛矿材 料和空位缺陷的钙钛矿材料特性,从微观机理研究空位缺陷对其光学性质的影响。结果表明:本征钙钛矿材料带隙为 152eV,这与实验测得的带隙值基本吻合;同时研究发现 Pb空位缺陷会导致钙钛矿呈偏 P型材料;I空位缺陷会导致钙 钛矿呈偏 N型材料。空位缺陷能够有效地改变钙钛矿材料的介电函数和光吸收谱,对于钙钛矿材料的研究及在光电器 件领域的应用具有重要的理论价值。 关 键 词:钙钛矿材料;空位缺陷;第一性原理;光电器件 中图分类号:O649.4 文献标识码:A doi:10.3788/CO.20191205.1048
  1. 1、下载文档前请自行甄别文档内容的完整性,平台不提供额外的编辑、内容补充、找答案等附加服务。
  2. 2、"仅部分预览"的文档,不可在线预览部分如存在完整性等问题,可反馈申请退款(可完整预览的文档不适用该条件!)。
  3. 3、如文档侵犯您的权益,请联系客服反馈,我们会尽快为您处理(人工客服工作时间:9:00-18:30)。
PACS numbers: 03.6Xiv:cond-mat/0301614v3 [cond-mat.mes-hall] 16 Oct 2003
Recently, a considerable effort has been devoted to gain control over a “neglected” property of an electron—its spin—and demonstrate how it can be exploited as a carrier of information [1]. This field of research, dubbed spintronics, is envisioned to bring new paradigms for both classical and quantum information processing. Manipulation of spins as possible carriers of classical information, when combined with traditional electronics manipulating the charge, offers exciting possibilities for novel devices that would process, store, and communicate information on the same chip [2]. Furthermore, phase1 as a generic two-level syscoherent dynamics of spin- 2 tem has been one of the most natural candidates for a qubit in quantum computers [3]. The attempts to utilize long-lived (because of the weak coupling to environmental forces) spin quantum states in semiconductors, either as spin-polarized currents or solid state qubits, is currently at the basic research phase where various conceptual problems are to be surmounted before functional devices can be transferred to an engineering phase. Besides pursuits of efficient room temperature injection [4] from a ferromagnetic source (metallic or semiconducting) into a non-magnetic semiconductor, or tunability of spin-dependent interactions [5], some well-known concepts of the spin physics are to be reexamined in this new guise. For instance, one would like to know the fate of the spin-polarization of injected electrons (which can change its properties or diminish altogether due to exposure to various controlled [2, 5] or uncontrolled [3, 6] spindependent interactions, respectively) in the course of transport through complicated solid-state environment, thereby building a firm quantum-mechanical ground for the understanding of what is actually measured in the final stage of experiments in spintronics [7]. The essential features of spin dynamics are captured by two key time scales: spin relaxation T1 and spin decoherence T2 time [8]. The time T1 is classical in nature
Entanglement of Electron Spin and Orbital States in Spintronic Quantum Transport
Branislav K. Nikoli´ c
Department of Physics and Astronomy, University of Delaware, Newark, DE 19716-2570 An electron within a mesoscopic (quantum-coherent) spintronic structure is described by a single wave function which, in the presence of both charge scattering and spin-orbit coupling, encodes an information about entanglement of its spin and orbital degrees of freedom. The quantum state—an improper mixture—of experimentally detectable spin subsystem is elucidated by evaluating quantum information theory measures of entanglement in the scattering states which determine quantum transport properties of spin-polarized electrons injected into a two-dimensional disordered Rashba spin-split conductor that is attached to the ferromagnetic source and drain electrodes. Thus, the Landauer transmission matrix, traditionally evaluated to obtain the spin-resolved conductances, also yields the reduced spin density operator allowing us to extract quantum-mechanical measures of the detected electron spin-polarization and spin-coherence, thereby pointing out how to avoid detrimental decoherence effects on spin-encoded information transport through semiconductor spintronic devices.
(i.e., it does not involve any superpositions of quantum states) since it determines lifetime of an excited spin state (aligned along the external magnetic field) [6]—as studied since 1950s by, e.g., exciting a nonequilibrium population of spin-polarized electrons in the skin depth of a metal, where microwave radiation is absorbed in an electron spin-resonance experiment and the diffusion of spins into the bulk is then traced [9]. On the other hand, the spin decoherence time T2 has received increased attention in quantum engineering of single spins where during T2 relative phase in the superpositions of | ↑ and |↓ spin quantum states is well-defined [8]. Thus, long T2 ensures enough time for quantum coherence in quantum computing with spintronic qubits [3] or in exploiting spin interference effects in the envisaged semiconductor spintronic devices (T2 can reach 100 ns thereby allowing for the transport of coherent spin states over length scales L2 < 100 µm [8]). The principal modes of decoherence and relaxation are exchange coupling with nuclear or other electronic spins, as well as the spin-orbit (SO) coupling to impurity atoms and defects [6, 8]. While paramount problems in spin injection [4] are currently under scrutiny, efficient detection of spin in solid state systems, whose weak coupling to the environment serves as an impediment here, remains an equal challenge [7]. Surprisingly enough, there are many different notions of spin-polarization of electrons detected via transport measurements in metallic [10] or semiconductor [11] spintronic structures. On the other hand, strict quantum-mechanical description of both spin-polarization and spin-coherence is unique: the quantum state of a spin subsystem has to be described by a spin density operator. The spin density operator ρ ˆs makes it possible to predict the result of a measurement of any quantum-mechanical observable related to spin only, thereby accounting for both transport [7] and optical [1, 8, 12] (which are particularly relevant for detec-
相关文档
最新文档