The electron distribution in silicon. A comparison between experiment and theory

Abstract

Deformation and valence-electron densities in silicon are derived via Fourier summation and multipole refinement of highly accurate measurements of X-ray structure factors. These results provide a new perspective for the comparison between theory and experiment. The model electron density derived from experiment is in quantitative agreement with recent solid-state calculations, but not with earlier experimental results reported by Yang & Coppens [Solid State Commun. (1974), 15, 1555-1559].