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

doi:10.7523/j.issn.2095-6134.2020.06.003

中国科学院大学学报 ›› 2020, Vol. 37 ›› Issue (6): 736-743.DOI: 10.7523/j.issn.2095-6134.2020.06.003

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

徐永峰¹, 胜献雷², 郑庆荣¹

1. 中国科学院大学物理科学学院, 北京 100049;
2. 北京航空航天大学物理系微纳测控与低维物理教育部重点实验室, 北京 100191

收稿日期:2019-03-26 修回日期:2019-05-08 发布日期:2020-11-15
通讯作者: 胜献雷, 郑庆荣
基金资助:
Supported by the National Natural Science Foundation of China(11574309,11504013)

Correlation-driven topological phase transition from quantum anomalous Hall insulator to Mott insulator in monolayer VCl₃ and VBr₃

XU Yongfeng¹, SHENG Xianlei², ZHENG Qingrong¹

1 School of Physical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China;
2 Key Laboratory of Micro-Nano Measurement-Manipulation and Physics of Ministry of Education, Department of Physics, Beihang University, Beijing 100191, China

Received:2019-03-26 Revised:2019-05-08 Published:2020-11-15
Supported by:
Supported by the National Natural Science Foundation of China(11574309,11504013)

摘要/Abstract

摘要： 基于第一性原理计算，发现在不考虑3d电子间关联作用的情况下，二维单层材料VCl₃和VBr₃是面内铁磁半导体，并且具有量子反常霍尔效应。VCl₃能隙约为3.4 meV，VBr₃没有全局的能隙。有趣的是，VCl₃的陈数为3，有3个手性边缘态；VBr₃的陈数为1，对应1个手性边缘态。当考虑关联作用U后，它们会变为Mott绝缘体。对于VCl₃，相变点发生在U=0.45 eV；对于VBr₃，相变点发生在U=0.35 eV。

关键词: 铁磁半导体, 大陈数, Mott绝缘体

Abstract: Based on the first-principle calculations, we propose that the monolayer VCl₃ and VBr₃ are quantum anomalous Hall insulators with in-plane magnetization without considering the correlation effect of the 3d electron-electron interaction. The band gap is predicted to be about 3.4 meV for VCl₃, but no global gap for VBr₃. It is interesting to note that VCl₃ (VBr₃) possesses a Chern number of C=3 (C=1) with three (one) chiral edge states. After considering correlation effect, we obtain Mott insulator if U>0.45 (U>0.35) eV for VCl₃ (VBr₃).

Key words: ferromagnetic semiconductor, large Chern number, Mott insulator

中图分类号:

O469

徐永峰, 胜献雷, 郑庆荣. 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[J]. 中国科学院大学学报, 2020, 37(6): 736-743.

XU Yongfeng, SHENG Xianlei, ZHENG Qingrong. Correlation-driven topological phase transition from quantum anomalous Hall insulator to Mott insulator in monolayer VCl₃ and VBr₃[J]. , 2020, 37(6): 736-743.

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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

Correlation-driven topological phase transition from quantum anomalous Hall insulator to Mott insulator in monolayer VCl₃ and VBr₃

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