Deformation potential extraction and computationally efficient mobility calculations in silicon from first principles
Sign Up to like & getrecommendations! Published in 2021 at "Physical Review B"
DOI: 10.1103/physrevb.104.195201
Abstract: We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and density-functional perturbation theory (DFPT). We compute the electronic band structures, phonon dispersion relations, and electron-phonon matrix elements to… read more here.
Keywords: mobility; first principles; potential extraction; deformation potential ... See more keywords