Electronic Energy Bands in Metallic Calcium

Abstract

Theoretical studies of electronic energy bands in metallic calcium have been carried out by the Wigner-Seitz-Slater cellular method. The conductivity is found to be due to an overlap between the lowest "$s$" band and the "$d$" band. This overlap leaves a small number of vacant states near the points in the momentum cell whose coordinates are: 0, $\frac{\ensuremath{\pi}}{\sqrt{2}R}$, $\frac{\ensuremath{\pi}}{2\sqrt{2}R}$. In terms of the computed results, interpretations of the binding energy, pressure coefficient of resistance, and paramagnetic susceptibility are made. Predictions are made about the Hall coefficient and about optical properties.