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APL | 郑州大学秦真真团队:二维Janus III族硫族体系中Rashba效应的原子级高效调控

  • 2026-05-09 11:12:34
APL | 郑州大学秦真真团队:二维Janus III族硫族体系中Rashba效应的原子级高效调控

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近日,郑州大学物理学院秦真真团队在二维Janus Rashba体系调控方面取得重要进展。团队针对二维Janus III族硫族化合物的电子结构和Rashba效应开展了系统的第一性原理计算研究,并提出基于几何结构形变直接实现Rashba效应高效调控的新策略。相关成果《Rashba effect in 2D Janus group-III chalcogenides: Control via atomic-scale structural engineering》为题,发表于国际权威物理类期刊《Applied Physics Letters》上,被编辑部评选为“Featured Articles”,且被选为当期封面。

可调Rashba效应在自旋电子学的自旋操控与新型量子效应研究中极具应用潜力。通常,Rashba常数由自旋轨道耦合强度与内建电场共同决定,虽可通过多种策略进行调控,但其效果往往受材料固有属性限制,普遍存在调控效率偏低的问题。因此,实现Rashba效应的高效精准调控已成为该领域面临的关键科学挑战。本研究基于第一性原理计算方法,对二维Janus III族硫族化合物的电子结构和Rashba效应开展系统研究,并提出基于几何结构形变直接实现Rashba效应高效调控的新策略。具体地,在大多数半导体体系(带隙范围为1.22~2.3 eV)的费米能级附近观察到孤立的Rashba自旋劈裂,其Rashba常数αR在0.18~0.79 eVÅ之间。针对以上Rashba半导体,施加双轴或单轴拉伸应变可导致其αR呈现近线性增大的趋势,且多数体系的αR可超过1 eVÅ;相比而言,其外电场下的Rashba调控效果较弱。值得注意的是,将较大晶格常数的二维材料与上述Rashba半导体构建为异质结构时,其Rashba常数呈现出与应变情形下类似的线性增大趋势。分析表明,通过应变或构建异质结构实现的高效Rashba效应调控均源于其局部结构变化,这使得其中主导自旋劈裂的轨道杂化作用增强,从而有效提高了Rashba常数。该工作提出了一种基于几何结构工程的Rashba效应调控策略,该策略在特定条件下可推广至其他Rashba体系,从而为推动可控自旋电子器件的发展提供新见解。

图1 (a) 二维MX结构(M=Al、Ga、In;X=S、Se、Te)的俯视图与侧视图;(b) MXY、MNX及MNXY(MNYX)三类Janus 结构的侧视图;(c)第一布里渊区示意图;(d) 不同Janus类别中典型体系的声子谱;(e) 300K下AIMD模拟的体系总能量随时间演化曲线。

图2 (a) 二维GaInSTe和(b) GaInTeS在PBE及PBE+SOC下的能带结构;内插图给出了Rashba自旋劈裂带的轨道投影图;右侧分别是GaInSTe在导带底(CBM)以及GaInTeS在导带底(CBM)和价带顶(VBM)处的自旋纹理图,其中红色与蓝色分别对应自旋向上与自旋向下;(c)二维 GaInTeS体系的WCC演化曲线;(d) 二维GaInTeS体系的边缘态。

图3 (a) 二维GaInSTe在双轴应变ε =-2%、4%和10%下的能带结构(插图为Rashba自旋劈裂放大图及其αR);(b) In2STe、GaInTeSe及GaInSTe体系中的轨道贡献(黑色虚线)、αR (红色实线)随应变点的变化趋势图;(c)  不同Janus类别中典型体系的αR在外电场作用下的变化趋势。

图4 (a) Rashba效应在应变调控下的机制示意图;(b) 以GaInSTe-InTe为例的异质结构侧视图(H1和H2两种堆叠方式);(c) 300K下AIMD模拟的异质结构体系总能量随时间演化曲线;(d)~(f) In2STe、GaInSTe及GaInTeSe与InTe拼接异质结构之后的能带结构图,其中插图为轨道投影图;(g) In2STe、GaInSTe及GaInTeSe体系施加±2%、±4%应变,以及其相应异质结构的αRpz轨道贡献,其中插图为局部几何结构形变示意图。

团队介绍

秦真真,1991年生,郑州大学物理学院研究员,博士生导师。2017年于南开大学获博士学位,随后受德国政府自然科学基金及AICES机构资助,赴德国亚琛工业大学从事博士后研究。现主持国家自然科学基金面上项目、青年科学基金项目、理论物理专项,以及河南省自然科学基金等多项科研项目。长期从事计算凝聚态物理研究,近期主要围绕二维Rashba体系设计与调控、自旋劈裂对热电性能的优化等方向开展系统性研究。自2013年起,在Phys. Rev. B, npj Comp. Mater.等知名国际学术期刊共计发表50余篇SCI收录论文,Google Scholar总引用达2800余次,h指数24,兼职中科院一区期刊《Rare Metals》的青年编委及含Phys. Rev. B,在内的多个国际主流期刊审稿人。

文章信息

Rashba effect in 2D Janus group-III chalcogenides: Control via atomic-scale structural engineering

Ziyu Xing, Qikun Tian, Jinghui Wei, Haipeng Wu, Guangzhao Qin, Zhenzhen Qin

Appl. Phys. Lett. 127,132402 (2025)

https://doi.org/10.1063/5.0286633

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期刊介绍

Applied Physics Letters以简明扼要的最新报告为特色,介绍了应用物理学的重大新发现。APL强调关键数据和新的物理学见解的快速传播,及时发表新实验和理论论文,报告物理现象在科学,工程和现代技术的所有分支中的应用。

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  1. CONNECT:[ UseTime:0.000565s ] mysql:host=127.0.0.1;port=3306;dbname=i460;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.000900s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000347s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000253s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.000465s ]
  6. SELECT * FROM `set` [ RunTime:0.000191s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.000486s ]
  8. SELECT * FROM `article` WHERE `id` = 533292 LIMIT 1 [ RunTime:0.001000s ]
  9. UPDATE `article` SET `lasttime` = 1778892573 WHERE `id` = 533292 [ RunTime:0.001363s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.000237s ]
  11. SELECT * FROM `article` WHERE `id` < 533292 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.000434s ]
  12. SELECT * FROM `article` WHERE `id` > 533292 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.000522s ]
  13. SELECT * FROM `article` WHERE `id` < 533292 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.006371s ]
  14. SELECT * FROM `article` WHERE `id` < 533292 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.003637s ]
  15. SELECT * FROM `article` WHERE `id` < 533292 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.002114s ]
0.085384s