Energy Bands in Ordered Beta-Brass

Abstract

The energy bands for the ordered, low-temperature modification of $\ensuremath{\beta}$-brass are calculated by means of the augmented-plane-wave method of Slater. The density of states and Fermi surface are determined. The results agree quite well with other calculations, by the Green's-function method, although the position of the $3d$ bands appears quite sensitive to the choice of potential. Finally, the calculations agree very well with experimental results on reflectance, de Haas-van Alphen oscillations, Hall effect, and electronic specific heat.