posted on 2024-06-20, 04:01authored byjiagang zhang, Ying Dai, Ting Zhang
details of the first-principles calculations; the phonon spectrum and the molecular dynamics simulation of single-layer FeSe and H-MnTe2; the band structures and the projected density of states of bilayer FeSe; the differential charge densities of bilayer H-MnTe2; stacking energies as a function of lateral shifts; and electric polarization values for different vdW functionals.