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Magnetic and optical properties of 2H VSe2 and VSSe monolayer

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Abstract

Using first-principles calculations, we investigated the magnetic and optical properties of monolayer 2H VSe2 and VSSe. We obtained a direct band gap of 1.04 eV in pristine 2H VSe2 and 1.05 eV for the Janus VSSe layer. Both systems displayed a ferromagnetic ground state. We also found an in-plane magnetic anisotropy, and the calculated in-plane magnetic anisotropy energies were 1.09 meV in VSe2 and 0.69 meV. The major contribution to the magnetic moment originated from the V atom. However, the Se atom induced strong in-plane anisotropy, not the V atom. The contribution to the magnetic anisotropy from the Se atom was almost twice larger than that from the V atom. Through the frequency-dependent dielectric function, we obtained the refractive index of ~ 2.5 in the visible range. Besides, we also found that the reflectivity was less than 0.2 in both structures at the visible range. This indicates the optically transparent in the visible frequencies.

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Acknowledgements

This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIT) (2022R1A2C1004440).

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Authors and Affiliations

  1. Department of Physics, Pukyong National University, Busan, 48513, Korea

    Ganie Suhail Ahmad, Brahim Marfoua & Jisang Hong

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  1. Ganie Suhail Ahmad
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  2. Brahim Marfoua
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  3. Jisang Hong
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Correspondence to Jisang Hong.

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Ahmad, G.S., Marfoua, B. & Hong, J. Magnetic and optical properties of 2H VSe2 and VSSe monolayer. J. Korean Phys. Soc. 81, 948–953 (2022). https://doi.org/10.1007/s40042-022-00606-8

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