Electronic and magnetic properties of two-dimensional CrX2 under vacancy and strain effects

被引：8
|
作者：
Wei, Xiao-Ping [1 ,2 ]
Shen, Jing [1 ]
Du, Lan-Lan [1 ]
Tao, Xiao-Ma [3 ]
机构：
[1] Lanzhou Jiaotong Univ, Sch Math & Phys, Lanzhou 730070, Peoples R China
[2] Lanzhou Univ, Lanzhou Ctr Theoret Phys, Key Lab Theoret Phys Gansu Prov, Lanzhou 730000, Gansu, Peoples R China
[3] Guangxi Univ, Coll Phys Sci & Technol, Nanning 530004, Peoples R China
来源：
PHYSICA B-CONDENSED MATTER | 2023年 / 667卷
基金：
中国国家自然科学基金;
关键词：
Stability; Vacancy; Strain; Electronic structure; Magnetic properties; TRANSITION-METAL; 1ST PRINCIPLES; MONOLAYER;
D O I：
10.1016/j.physb.2023.415154
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Two-dimensional materials with intrinsic magnetism are considered as ideal candidate for spintronic application. Herein, we investigated the effect of vacancy and strain on the electronic and magnetic properties of two-dimensional CrX2 (X =S, Se, Te). Perfect CrX2 was predicted to be nonmagnetic semiconductor. After considering the Cr vacancy, CrS2 and CrSe2 behave as ferromagnetic metal and semiconductor, and CrTe2 is antiferromagnetic metal. CrX2 with Cr vacancy and biaxial strain exhibits a rich phase diagram. Finally, we discuss the mechanism of vacancy induced magnetism and strain induced phase transition. Our research may offer some valuable hints for the application of CrX2 in spintronic devices.
引用
收藏
页数：12
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