Tunable magnetic properties of fluorinated two-dimensional Tetra-MoN2

被引：2

作者：

Guo, Chunsheng ^{[1
,2
]}

Liu, Yang ^{[1
]}

Li, Wanxue ^{[2
]}

Xin, Xiaojun ^{[2
]}

Shi, Xingqiang ^{[3
]}

Zhao, Yong ^{[1
,2
]}

机构：

[1] Southwest Jiaotong Univ, Superconduct & New Energy R&D Ctr, Sch Phys Sci & Technol, Chengdu 610031, Sichuan, Peoples R China

[2] Southwest Jiaotong Univ, Key Lab Magnet Levitat Technol & Maglev Trains, Minist Educ, Chengdu 610031, Sichuan, Peoples R China

[3] Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2020年 / 739卷

基金：

中国国家自然科学基金;

关键词：

Tetra-MoN2; Magnetic properties; Ab initio approach; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; MOLYBDENUM DINITRIDE; METAL; MONOLAYER; NANOSHEETS; SEARCH;

D O I：

10.1016/j.cplett.2019.136991

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：

So far the Tetra-MoN2 has been reported as the most stable structure of MoN2, which is a nonmagnetic semi-conductor with an indirect band gap. With fluorine atoms adsorbed on the surface, the fluorinated Tetra-MoN2 (F-Tetra-MoN2) exhibits rich magnetic behaviors mediated by the polarized p electron of N and induced by small strains and low-concentration charge doping. Coverage or distance of F adsorbates also causes dramatic change of the magnetic properties. F adsorbates trend to aggregation which induces stronger spin polarization in F-Tetra-MoN2. These results suggest an efficient route to tune the magnetic properties of fluorinated Tetra-MoN2.

引用

页数：5

共 33 条

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