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Magnetic and optical properties of 2H VSe2 and VSSe monolayer
Ahmad Ganie Suhail,Marfoua Brahim,Hong Jisang 한국물리학회 2022 THE JOURNAL OF THE KOREAN PHYSICAL SOCIETY Vol.81 No.10
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.