Journal
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM
Volume 31, Issue 6, Pages 1801-1805Publisher
SPRINGER
DOI: 10.1007/s10948-017-4402-0
Keywords
WS2 monolayer; Nonmagnetic metal; Strain; DFT calculations
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Funding
- Shanghai Committee of Science and Technology, China [ZHT.K1507]
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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 mu(B). 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 mu(B) 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.
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