Effect of Strain on Magnetic Coupling in Ga-Doped WS2 Monolayer: Ab Initio Study

Original Paper

Abstract

Magnetic properties of Ga-doped WS2 monolayer under strain are investigated by ab initio methods. Without strain, the Ga-doped WS2 monolayer is a magnetic nanomaterial, and the total magnetic moment is about 0.82 μB. We applied strain to Ga-doped WS2 monolayer from − 10 to 10%. The magnetic properties are modified under different strains, and a maximum magnetic moment reaches 3.09 μB at − 3% compressive strain. However, the magnetic moment of system decreases to zero sharply when compressive strain arrived at − 10%. The coupling among Ga 3d, W 5d, and S 3p states is responsible for the strong strain effect on the magnetic properties. Our studies predict Ga-doped WS2 monolayer under strain to be candidates for application in spintronics.

Keywords

WS2 monolayer Nonmagnetic metal Strain DFT calculations 

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Copyright information

© Springer Science+Business Media, LLC 2017

Authors and Affiliations

  1. 1.Department of PhysicsShanghai Polytechnic UniversityShanghaiPeople’s Republic of China
  2. 2.Key Laboratory of Polar Materials and DevicesEast China Normal UniversityShanghaiPeople’s Republic of China

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