A method of determining the overlap integrals used in calculations of Auger transition rates in semiconductors

摘要: Overlap integrals of Bloch functions are required for calculations Auger transition rates in semiconductors. The usual approximations (such as those based on the effective mass sum rule or simple four-band kp method) known to be unreliable but pseudopotential and 15-band methods (which produce accurate values) involve too much computation directly incorporated numerical rates. In work reported here, overlap obtained from diagonalisation Hamiltonian, with effects remote bands included by Lowdin procedure, shown good agreement calculated empirical non-local band-structure method Chelikowsky Cohen (1976). Also it is how possible obtain algebraic expressions using perturbation theory. theory able explain general features results many cases provides a quantitative description.