‘‘Absolute’’ deformation potentials: Formulation andab initiocalculations for semiconductors

Abstract

The subjects of this paper are the proper inclusion of long-range electrostatic terms in the theory of electronic deformation potentials, the way to include these terms by using supercells in ab initio density-functional methods, and calculations for selected semiconductors. We describe the connection with the heterojunction problem, and compare our values with previous model theories and with experiment.