中国物理B ›› 2016, Vol. 25 ›› Issue (11): 117103-117103.doi: 10.1088/1674-1056/25/11/117103

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Strain-induced magnetism in ReS2 monolayer with defects

Xiao-Ou Zhang(张小欧), Qing-Fang Li(李庆芳)   

  1. 1 Department of Electrical Engineering and Photoelectric Technology, Zijin College of Nanjing University of Science and Technology, Nanjing 210023, China;
    2 Department of Physics, Nanjing University of Information Science & Technology, Nanjing 210044, China
  • 收稿日期:2016-04-21 修回日期:2016-06-02 出版日期:2016-11-05 发布日期:2016-11-05
  • 通讯作者: Qing-Fang Li E-mail:qingfangli@nuist.edu.cn
  • 基金资助:

    Project supported by the National Natural Science Foundation of China (Grant No. 11547030).

Strain-induced magnetism in ReS2 monolayer with defects

Xiao-Ou Zhang(张小欧)1, Qing-Fang Li(李庆芳)2   

  1. 1 Department of Electrical Engineering and Photoelectric Technology, Zijin College of Nanjing University of Science and Technology, Nanjing 210023, China;
    2 Department of Physics, Nanjing University of Information Science & Technology, Nanjing 210044, China
  • Received:2016-04-21 Revised:2016-06-02 Online:2016-11-05 Published:2016-11-05
  • Contact: Qing-Fang Li E-mail:qingfangli@nuist.edu.cn
  • Supported by:

    Project supported by the National Natural Science Foundation of China (Grant No. 11547030).

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摘要：

We investigate the effects of strain on the electronic and magnetic properties of ReS2 monolayer with sulfur vacancies using density functional theory. Unstrained ReS2 monolayer with monosulfur vacancy (VS) and disulfur vacancy (V2S) both are nonmagnetic. However, as strain increases to 8%, VS-doped ReS2 monolayer appears a magnetic half-metal behavior with zero total magnetic moment. In particular, for V2S-doped ReS2 monolayer, the system becomes a magnetic semiconductor under 6% strain, in which Re atoms at vicinity of vacancy couple anti-ferromagnetically with each other, and continues to show a ferromagnetic metal characteristic with total magnetic moment of 1.60μ B under 7% strain. Our results imply that the strain-manipulated ReS2 monolayer with VS and V2S can be a possible candidate for new spintronic applications.

关键词: ReS2, first-principle calculations, strain, defect

Abstract:

We investigate the effects of strain on the electronic and magnetic properties of ReS2 monolayer with sulfur vacancies using density functional theory. Unstrained ReS2 monolayer with monosulfur vacancy (VS) and disulfur vacancy (V2S) both are nonmagnetic. However, as strain increases to 8%, VS-doped ReS2 monolayer appears a magnetic half-metal behavior with zero total magnetic moment. In particular, for V2S-doped ReS2 monolayer, the system becomes a magnetic semiconductor under 6% strain, in which Re atoms at vicinity of vacancy couple anti-ferromagnetically with each other, and continues to show a ferromagnetic metal characteristic with total magnetic moment of 1.60μ B under 7% strain. Our results imply that the strain-manipulated ReS2 monolayer with VS and V2S can be a possible candidate for new spintronic applications.

Key words: ReS2, first-principle calculations, strain, defect

中图分类号:  (Density functional theory, local density approximation, gradient and other corrections)

  • 71.15.Mb
73.20.At (Surface states, band structure, electron density of states) 75.50.Pp (Magnetic semiconductors)