Tuning the magnetic properties of the monolayer MoSe2 by nonmetal doping: First-principles study

被引：21
|
作者：
Zhao, Yafei [1 ,2 ]
Wang, Wei [1 ,2 ]
Li, Can [3 ]
Xu, Yongbing [1 ,2 ]
He, Liang [1 ,2 ]
机构：
[1] Nanjing Univ, Sch Elect Sci & Engn, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China
[2] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China
[3] China Jiliang Univ, Ctr Coordinat Bond Engn, Coll Mat Sci & Engn, Hangzhou 310018, Zhejiang, Peoples R China
来源：
SOLID STATE COMMUNICATIONS | 2018年 / 281卷
基金：
中国国家自然科学基金;
关键词：
Monolayer MoSe2; Odd/even number of valence electrons; Magnetic properties; POLARIZATION; FILMS;
D O I：
10.1016/j.ssc.2018.06.010
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
The magnetic properties of nonmetal (NM) doped (H, B, C, Si, N, P, As, O, S, Te, F, Cl, Br or I) monolayer MoSe2 were investigated by first principle calculations. We have found that NM dopants with odd number of valence electrons can induce magnetism; on the contrary, NM dopants with even number of valence electrons cannot induce magnetism. More importantly, half metallic property has been found for H-, B-, F-, Cl-, Br- and I-doped MoSe2 , characterized with 100% spin-polarization around the Fermi level. This work has important guidance for the realization of spin devices on monolayer MoSe2 .
引用
收藏
页码：6 / 11
页数：6
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