Crystal Potentials in Energy-Band Calculations of Noble Metals

Abstract

The prevalent prescriptions for constructing crystal potentials are used to determine the energy bands for silver. The Kohn-Rostoker method is applied to determine the energy eigenvalues at the symmetry points $\Gamma$, $X$, and $L$ and along the $\Delta$, $\Lambda$, and $\Sigma$ axes. General conclusions with respect to the suitability of a given potential to noble metals are drawn from a comparison of the important energy-level separations and Fermi-surface parameters of copper (from available calculations) and silver (this calculation) with experiment. It is concluded that the most reasonable representation of the crystal potential for noble metals is obtained by a superposition of atomic potentials, with a proper choice of electronic configuration.