Strain dependent magnetic properties of 1T-VSe2 monolayer

다국어 초록 (Multilingual Abstract)

Using the frst principles calculations, we investigated the strain dependent magnetic properties of the 1T-VSe2 monolayer (up to±3%). We obtained a metallic band structure, and this feature was preserved under both compressive and tensile strain.
The pristine system had a magnetic moment of 0.9 μB/unit cell and decreased to 0.68 μB /unit cell under − 3% compressive strain whereas it was increased to 1.03 μB/unit cell under+3% tensile strain. The 1T-VSe2 monolayer had an in-plane magnetic anisotropy with a value of − 0.48 meV/cell. The in-plane anisotropy features were maintained in both compressive and tensile strains. The orbital resolved magnetic anisotropy indicated that the V atom contributed to the perpendicular magnetic anisotropy while the Se atom had an in-plane anisotropy. We found that the Se dominated the anisotropy. We also calculated the temperature dependent Curie temperature (TC). The pristine structure had a TC of 260 K, and the strain efect enhanced the TC. Particularly, the compressive strain afected further the exchange parameter resulting in substantial enhancement of the Curie temperature where a TC of 570 K was achieved at − 3% strain. Our fnding regarding the strained VSe2 could help for further investigation in spintronics and straintronics applications.

참고문헌 (Reference)

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