Modified muffin tin potentials for the band structure of semiconductors

Abstract

The crystalline potential of a semiconductor is described in the muffin tin potential approximation as a complex lattice of disjoint potential spheres. These consist of atomic potential spheres in the regular lattice sites and hollow spheres, of potential higher than the muffin tin zero, in an interstitial sublattice. The band structure is calculated for carbon in diamond and compared with results of known procedures.