Magnetic and optical properties of 2H VSe2 and VSSe monolayer

다국어 초록 (Multilingual Abstract)

Using frst-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 refectivity was less than 0.2 in both structures at the visible range. This indicates the optically transparent in the visible frequencies.

참고문헌 (Reference)

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