Electronic Energy Bands, Excitons, and Plasmons in Lithium Fluoride Crystal

Abstract

Abstract The electronic band structure of lithium fluoride has been worked out using the mixed basis (MB) method recently proposed by one of the authors. Due to the effect of exchange, F − wave functions are rather compact, and mixing of plane waves in the valence band wave functions is unimportant. The minima of the conduction band occur at equivalent L ‐points in the Brillouin zone. Recent ultraviolet, soft X‐ray, and electron energy loss spectra are analyzed in the light of the present calculation.