The local electron interaction with point defects in zinc blende GaN, CdTe and ZnTe: Ab initio calculation

Abstract

In the present paper the electron interaction with different types of defects in zinc blende GaN, CdTe and ZnTe is considered. It is carried out by using the short-range scattering models for electron interaction with polar and nonpolar optical phonons, piezoelectric and acoustic phonons, neutral and ionized impurities, static strain centers. For the first time the electron transition probabilities were evaluated with the ab initio wave functions and self-consistent potentials. The latter were calculated within the projector augmented waves (PAW) formalism as implemented in the ABINIT code. The temperature dependences of electron mobility and Hall factor in the range of 30–300 K for GaN, in the range 10–1210 K for CdTe and in the range 900–1300 K for ZnTe are calculated. It is shown that the results obtained in the framework of short-range scattering models are much better compared to the experiment than those obtained with their long-range counterparts.