Electronic structure and total energy of Si, Ge and α-Sn by the self-consistent local pseudopotential method

Abstract

The author has applied the self-consistent local pseudopotential method to study the electronic structure of Si, Ge and alpha -Sn. The calculated band structures and valence charge densities agree well with experiment. The momentum-space formalism in Ihm, Zunger and Cohen (1979), based on the self-consistent local pseudopotential method, is used to calculate the total energy of these crystals. The results are in good agreement with experiment.