Calculation of Deformation Potential Constants in the Diamond and Zinc-Blende Structure Using a Model Pseudopotential

摘要

A method is given for calculating the deformation potential constants for materials with the diamond and zinc-blende structure by using the general framework of the pseudopotential approximation. The report includes a general discussion of deformation potential constants and the pseudopotential technique. A simple method of including the effects of spin-orbit splitting in the pseudopotential formalism is considered in some detail, as is the strain variation of the kinetic energy, pseudopotential, and spin-orbit terms of the Hamiltonian. The definition of the strain variation of these terms enables one to calculate the change in energy of an arbitrary electronic state due to a general strain. (Author)