Tuning Magnetism in Layered Magnet VI3: A Theoretical Study

被引：42

作者：

An, Ming ^{[1
]}

Zhang, Yang ^{[1
]}

Chen, Jun ^{[1
]}

Zhang, Hui-Min ^{[1
]}

Guo, Yunjun ^{[1
,2
]}

Dong, Shuai ^{[1
]}

机构：

[1] Southeast Univ, Sch Phys, Nanjing 211189, Jiangsu, Peoples R China

[2] Jiangsu Second Normal Univ, Sch Phys & Elect Engn, Nanjing 210013, Jiangsu, Peoples R China

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2019年 / 123卷 / 50期

基金：

中国国家自然科学基金;

关键词：

INTRINSIC FERROMAGNETISM; BEHAVIOR; VANADIUM; CRYSTAL; OXIDE;

D O I：

10.1021/acs.jpcc.9b08706

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

When combined with transition metals with partially filled d orbitals, magnetism can be incorporated in two-dimensional materials, which greatly expands the scope for fundamental research and potential applications of these materials. Here, a first-principles study of a new two-dimensional ferromagnet VI3 has been carried out. The structural symmetry and magnetic and electronic properties of VI3 in its bulk and single layer forms have been confirmed and predicted, respectively. Its ferromagnetic Curie temperature is predicted to be reduced by half in its monolayer form. In addition, the cation substitution in its monolayer has also been studied, which can significantly tune the magnetism.

引用

页码：30545 / 30550

页数：6

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