二维过渡金属硫化物中Rashba自旋轨道耦合效应的电场调控研究

doi:10.3969/j.issn.1000-5641.2018.02.010

华东师范大学学报(自然科学版) ›› 2018, Vol. 2018 ›› Issue (2): 101-108.doi: 10.3969/j.issn.1000-5641.2018.02.010

二维过渡金属硫化物中Rashba自旋轨道耦合效应的电场调控研究

姚群芳, 蔡佳, 龚士静

华东师范大学极化材料与器件教育部重点实验室, 上海 200241

收稿日期:2017-02-21 出版日期:2018-03-25 发布日期:2018-03-22
通讯作者: 龚士静,女,副研究员,硕士生导师,研究方向为自旋电子学.E-mail:sjgong@ee.ecnu.edu.cn. E-mail:sjgong@ee.ecnu.edu.cn
作者简介:姚群芳,女,硕士研究生,研究方向为自旋电子学.E-mail:qfyao1175@163.com.
基金资助:
上海市自然科学基金（14ZR1412700）；国家自然科学基金（61774059）

Electrical manipulation of Rashba spin-orbit coupling in the two-dimensional transition metal dichalcogenide

YAO Qun-fang, CAI Jia, GONG Shi-jing

Key Laboratory of Polar Materials and Devices, Ministry of Education, East China Normal University, Shanghai 200241, China

Received:2017-02-21 Online:2018-03-25 Published:2018-03-22

摘要/Abstract

摘要： 本文采用基于密度泛函理论的第一性原理计算方法，对6种二维过渡金属硫化物MX₂（M=Mo，W；X=S，Se，Te）中的Rashba自旋轨道耦合效应进行了系统研究.对6种MX₂材料施加垂直方向电场，发现阴离子X对于电场诱导的Rashba自旋轨道耦合效应起主要作用：X原子序数越大，电场诱导的Rashba劈裂也越大；阳离子M被阴离子X覆盖，对电场诱导的Rashba自旋劈裂影响较弱.因此，6种MX₂单层的Rashba自旋劈裂大小依次为：WTe₂ > MoTe₂ > WSe₂ > MoSe₂ > WS₂ > MoS₂.施加电场后，从布里渊区中心Γ点到布里渊区边界K/K'点，自旋方向二维平面内转向垂直方向，并且随着电场的增加，面内自旋成分逐渐增加.

关键词: 二维过渡金属硫化物, Rashba自旋轨道耦合, 第一性原理计算

Abstract: Using the first-principles density functional theory calculations, we investigate the Rashba spin-orbit coupling of the transition metal dichalcogenide (TMD) monolayers MX₂(M=Mo, W; X=S, Se, Te) induced by the external electric field. It is found that the anions X play an important role on the Rashba spin-orbit coupling effect. With the increase of the atomic number of X, Rashba spin-orbit splitting around the Γ point increases more distinctively, and the external electric field can hardly influence the cations because of the coverage by the anions. Thus the strength of the Rashba spin-orbit coupling follows the sequence:WTe₂ > MoTe₂ > WSe₂ > MoSe₂ > WS₂ > MoS₂. Furthermore, the distribution of the spin polarization along the high symmetry line Γ-K/K' turns from the vertical direction to the two-dimensional plane under the external electric fields, and the in-plane spin polarization distribution rises with the increase of the external electric field.

Key words: two-dimentional transition metal dichalcogenide, Rashba spin-orbit coupling, first-principles calculation

中图分类号:

O411.3

姚群芳, 蔡佳, 龚士静. 二维过渡金属硫化物中Rashba自旋轨道耦合效应的电场调控研究[J]. 华东师范大学学报(自然科学版), 2018, 2018(2): 101-108.

YAO Qun-fang, CAI Jia, GONG Shi-jing. Electrical manipulation of Rashba spin-orbit coupling in the two-dimensional transition metal dichalcogenide[J]. Journal of East China Normal University(Natural Sc, 2018, 2018(2): 101-108.

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二维过渡金属硫化物中Rashba自旋轨道耦合效应的电场调控研究

Electrical manipulation of Rashba spin-orbit coupling in the two-dimensional transition metal dichalcogenide

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