Orbital Removal Method for the Neutral Vacancy in Semiconductors

摘要

A study of the orbital removal method for vacancy states in semiconductors is presented. It is shown that the bound and resonance states are zeroes of the local perfect-crystal Green function. We suggest that the generalized localized orbitals generate a vacancy potential, when the atom has been removed from the lattice site, which leads to the appearance of a bound state. This is demonstrated for diamond. 8 refs, 1 fig. (Atomindex citation 18:015704)