Strain-induced magnetism in ReS2 monolayer with defects

doi:10.1088/1674-1056/25/11/117103

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 (V_S) and disulfur vacancy (V_2S) both are nonmagnetic. However, as strain increases to 8%, V_S-doped ReS₂ monolayer appears a magnetic half-metal behavior with zero total magnetic moment. In particular, for V_2S-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 V_S and V_2S can be a possible candidate for new spintronic applications.

Keywords: ReS₂ first-principle calculations strain defect

Received: 21 April 2016
Revised: 02 June 2016
Accepted manuscript online:

PACS:	71.15.Mb	(Density functional theory, local density approximation, gradient and other corrections)
	73.20.At	(Surface states, band structure, electron density of states)
	75.50.Pp	(Magnetic semiconductors)

Fund:

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

Corresponding Authors: Qing-Fang Li
E-mail: qingfangli@nuist.edu.cn

Cite this article:

Xiao-Ou Zhang(张小欧), Qing-Fang Li(李庆芳) Strain-induced magnetism in ReS₂ monolayer with defects 2016 Chin. Phys. B 25 117103

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Strain-induced magnetism in ReS₂ monolayer with defects