Electronic structure of rhodium

Abstract

Local-density, all-electron, self-consistent energy-band calculations are reported for face-centered-cubic rhodium. The Fermi surface is obtained; charge form factors, the Compton profile, and the optical conductivity are determined. Results are compared with other calculations and with experiment where these exist. A possible ferromagnetic state is found for an increased lattice constant with a moment developing at about a=8.17 a.u.