Electronic and optical properties of PtSe2
Institute of Physics, University of Silesia in Katowice, ul Pułku Piechoty 1, 41-500 Chorzów, Poland
We study the twist-angle dependence of electronic and optical properties of bilayer PtSe2. Using first-principles calculations based on the density functional theory, we calculate the electronic band structure and imaginary part of the dielectric function. We also employ vertical strain and explore how it affects electronic and optical structure. Our numerical results show that for experimentally accessible strain values, an additional peak in the dielectric function appears at the photon energy of 1eV due to the band gap reduction.