Electronic structure of impurities in dilute alloys of Al

Self-consistent, nonlinear screening calculations for point-ion nonmagnetic impurities in jellium are made using the Hohenberg-Kohn and Kohn-Sham density functional formalism. The Friedel criterion is used to estimate the effective impurity valency and the Blatt correction is used for the size effect. The impurity induced charge densities in the Al matrix are calculated and an analytical expression, valid in both the preasymptotic and asymptotic regions is proposed. The net impurity effective charges are calculated and it is found that the matrix makes a substantial charge transfer in the impurity cell for all the alloys except AlMg and AlSn. The estimated residual resistivities agree fairly well with available experimental data. (author)