Effect of higher-order terms in the free-electron screening-charge distribution on the electric field gradient in dilute alloys of cubic host metals

Abstract

It is shown for the first time that within the free-electron model of the screening-charge distribution, the accuracy of the electric field gradient calculated at the nearest-neighbor host site from an impurity in a cubic host metal can improve considerably if terms of higher order than two are retained in the charge-density expression and the coefficients of the charge distribution are determined in a more realistic scattering potential than square well.