Density of states, optical mass, and dc electrical resistance of Ta, W, Nb, and Mo using Slater-Koster interpolation

Abstract

Slater-Koster interpolation has been used to fit the nonrelativistic augmented-plane-wave (APW) band calculations of Petroff and Viswanathan for Ta and W. The resulting Slater-Koster parameters have been used to calculate the density of states and optical mass. The density of states compares well with the original APW calculation, but the optical masses which have not been calculated before, seem to differ appreciably from presently available experimental data. The dc electrical resistances, which have been calculated using our values of the optical mass, agree well with experiment if an empirical coupling constant similar to McMillan's is assumed.