The electronic structure of point defects in metals

Abstract

The present paper treats point defects, in particular vacancies in monovalent metals, by means of the electron theory of metals. Two theoretical methods are discussed : The free or quasi-free electron model, and the Green's function method, based on the use of Wannier functions. Problems of self-consistency, range of applicability of the models, and choice of the perturbing potential are considered. For a number of potentials detailed numerical results for formation and binding energies and for the electrical resistivity are given. The work reported here is mainly due to H. Stehle, E. Mann, H. Bross, and the author