Electronic and magnetic properties of single-layer and double-layer VX_(2)(X=Cl,Br)under biaxial stress  

作　　者：Xing Li Yanfeng Ge Jun Li Wenhui Wan Yong Liu 李兴;盖彦峰;李军;万文辉;刘永(State Key Laboratory of Metastable Materials Science and Technology&Key Laboratory for Microstructural Material Physics of Hebei Province,School of Science,Yanshan University,Qinhuangdao 066004,China)

机构地区：[1]State Key Laboratory of Metastable Materials Science and Technology&Key Laboratory for Microstructural Material Physics of Hebei Province,School of Science,Yanshan University,Qinhuangdao 066004,China

出　　处：《Chinese Physics B》2021年第10期534-540,共7页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China(Grant Nos.11904312 and 11904313);the Project of Hebei Educational Department,China(Grant Nos.ZD2018015 and QN2018012);the Natural Science Foundation of Hebei Province,China(Grant No.A2019203507).

摘　　要：First-principles calculations and Monte Carlo simulations reveal that single-layer and double-layer VX_(2)(X=Cl,Br)can be tuned from antiferromagnetic(AFM)semiconductors to ferromagnetic(FM)state when biaxial tensile stress is applied.Their ground states are all T phase.The biaxial tensile stress at the phase transition point of the double-layer VX_(2) is larger than that of the single-layer VX_(2).The direct band gaps can be also manipulated by biaxial tensile stress as they increases with increasing tensile stress to a critical point and then decreases.The Neel temperature(´TN)of double-layer VX_(2) are higher than that of single-layer.As the stress increases,the TN of all materials tend to increase.The magnetic moment increases with the increase of biaxial tensile stress,and which become insensitive to stress after the phase transition points.Our research provides a method to control the electronic and magnetic properties of VX_(2) by stress,and the single-layer and double-layer VX_(2) may have potential applications in nano spintronic devices.

关 键 词：FIRST-PRINCIPLES biaxial tensile stress phase transition magnetic properties 

分 类 号：O469[理学—凝聚态物理]