Theoretical energy band structure of silver by the composite wave variational method

Abstract

The band energy of silver has been calculated by the composite wave variational method at the symmetry points Γ X and L of the Brilloun zone, using the quantum defect method to find out the logarithmic derivatives of the radial wave functions inside the atomic cell. The results show that the p states at the zone faces are below the s states, and the band gap obtained at the zone face L is not sufficient for the Fermi surface to make a contact with the zone face L.