Electron Correlation Effects on the Lattice Dynamics of Sodium and Potassium

Abstract

The phonon dispersion curves for sodium and potassium have been calculated using the one OPW (orthogonalized plane wave) bare electron matrix elements and the dielectric function of Vashishta and Singwi. Results are compared with experimental results as well as with similar calculations using the dielectric function of Geldart and Taylor. It is found that the screening function of Vashishta and Singwi gives at least as good an agreement with experimental values as obtained from the screening function of Geldart and Taylor. The interionic potentials for these metals have also been calculated and compared with similar calculations done previously. The reason for the appreciable difference between the potentials is discussed.