Electron Scattering on the Short-range Potential of the Point Defects in Sphalerite GaN: Calculation from the First Principles

Abstract

The electron scattering processes in sphalerite gallium nitride on the different lattice point defects are considered. The short-range principle is taken into account in all the calculations. The transition matrix elements have been evaluated by using the self-consistent wave function and potential obtained within the ab initio density functional theory. This approach avoids the problem of using the fitting parameters for the six electron scattering mechanisms. The temperature dependences of electron mobility in the range 30-300 K are calculated. The results obtained with short-range scattering models reveal a better agreement with experiment than with the long-range scattering ones. For the first time the electron transport properties have been obtained here on base of the short-range scattering models, with derived by projector augmented waves self-consistent eigenfunctions and potentials, calculated from the first principles.