Electronic and optical properties of two-dimensional flat band triphosphides

Gabriel Elyas Gama Araujo, Lucca Moraes Gomes, Dominike Pacine de Andrade Deus +2

In this work we use first-principles density-functional theory (DFT) calculations combined with the maximally localized Wannier function tight binding Hamiltonian (MLWF-TB) and Bet…