A first-principles study of transition metal doped arsenene

被引：28

作者：

Liu, Mingyang ^{[1
]}

Chen, Qingyuan ^{[1
]}

Huang, Yang ^{[1
]}

Cao, Chao ^{[2
]}

He, Yao ^{[1
]}

机构：

[1] Yunnan Univ, Dept Phys, Kunming 650091, Peoples R China

[2] Hangzhou Normal Univ, Dept Phys, Hangzhou 310036, Zhejiang, Peoples R China

来源：

SUPERLATTICES AND MICROSTRUCTURES | 2016年 / 100卷

基金：

中国国家自然科学基金;

关键词：

Arsenene; First-principles methods; Transition metal doping; Magnetic properties; ELECTRONIC-PROPERTIES; MONOLAYER;

D O I：

10.1016/j.spmi.2016.09.014

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Arsenene is the monolayer gray arsenic which was proposed only recently. Herein, we study the magnetic properties and electronic structures of transition-metal-doped arsenene by using first-principles calculations. Three doping concentrations are considered in our investigation. The results show that not all 3d transition metal (TM) atoms can induce the magnetic state in arsenene. Moreover, the doping concentration hardly affects the magnetic moment except for Fe- and Ni-doped systems. We believe, in particular, that the magnetism is dominantly controlled by the doping TM atoms, and no significant contributions are induced, even by their nearest arsenic atoms. In addition, the multi plicate electronic structures of TM-doped arsenene, such as semiconductor, metal and half metal, have also been revealed and discussed in this work, which may provide a new attention for the doped arsenene nanosheets. (C) 2016 Elsevier Ltd. All rights reserved.

引用

页码：131 / 141

页数：11

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