The electronic energy bands of the alkali metals and metallic beryllium

Abstract

The applicability of various electronic energy band interpolation schemes to the alkali metals and metallic beryllium is discussed. An ‘ l -dependent’ pseudo-potential method using only a very small number of plane waves in the expansion of the valence electron wave functions is then applied to these metals. The density of states curves and the Fermi surfaces are calculated. It is found that for lithium the Fermi surface may touch the Brillouin zone boundaries. The calculated and observed low temperature electronic specific heat coef­ficients and valence band widths are compared.