“…52,53 Generally speaking, our scheme is the uncorrelated limit of that applied to the disordered Hubbard model, 52 where the effect of site-diagonal disorder is modeled by incorporating an Anderson-like disorder term
(ref. 54) in the bare one-electron Hamiltonian of BAs bulk crystal, which reads
. Here, a = x , y , z labels the diagonalized p-bands, ε a ( k ) is the one-electron band dispersion, which encodes details of the one-electron (GGA) band structure, μ is the chemical potential, and ε (0) a are on-site orbital energies of pristine and strained BAs, whose bare values are read off from the GGA spectral functions.…”