Magnetic properties of nonmetal atoms absorbed MoS2 monolayers

被引：209

作者：

He, Jiangang ^{[1
,2
]}

Wu, Kechen ^{[1
]}

Sa, Rongjian ^{[1
]}

Li, Qiaohong ^{[1
]}

Wei, Yongqin ^{[1
]}

机构：

[1] Chinese Acad Sci, Fujian Inst Res Struct Matter, State Key Lab Struct Chem, Fuzhou 350002, Fujian, Peoples R China

[2] Chinese Acad Sci, Grad Univ, Beijing 100039, Peoples R China

来源：

APPLIED PHYSICS LETTERS | 2010年 / 96卷 / 08期

关键词：

ab initio calculations; antiferromagnetic materials; boron; carbon; fluorine; hydrogen; magnetic moments; magnetic semiconductors; molybdenum compounds; monolayers; nitrogen; oxygen; semiconductor materials;

D O I：

10.1063/1.3318254

中图分类号：

O59 [应用物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

The geometries, electronic structures, and magnetic properties of H-, B-, C-, N-, O-, and F-absorbed MoS2 monolayers have been investigated by first-principles calculations. The results demonstrate that all these atoms can chemically absorb on MoS2 monolayer. The total magnetic moments of H-, B-, C-, N-, and F-absorbed MoS2 monolayers are 1.0, 1.0, 2.0, 1.0, and 1.0 mu(B), respectively. The large spatial extensions of spin density and long-range antiferromagnetic coupling were observed in H- and F-absorbed MoS2 monolayers. Additionally, the n-type and p-type two-dimensional MoS2 semiconductors can be realized by absorbing H and N atoms, respectively.

引用

页数：3

共 21 条

[1]

Anionogenic ferromagnets [J].