Authors: Juan Du Congxin Xia Yipeng An Tianxing Wang Yu Jia
Publish Date: 2016/07/11
Volume: 51, Issue: 20, Pages: 9504-9513
Abstract
Based on densityfunctional theory the electronic structures and magnetism of 3d transition metal TMdoped arsenene nanosheets are investigated by means of firstprinciples methods The results show that Sc and Codoped arsenene nanosheets possess the nonmagnetic semiconducting properties while Ti Cr and Cu substituting As atom can induce dilute magnetic semiconductor phase Moreover halfmetal properties are induced in the V Mn Fe and Nidoped arsenene nanosheets In addition results also show that Ti V Mn and Fedoped arsenene nanosheets present ferromagnetic coupling whereas Cr substitutional doping results in an antiferromagnetic coupling under their most stable configuration These results indicate that TM doping can tune effectively the electronic and magnetic properties in the arsenene nanosheets
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