The electron distribution in silicon. A comparison between experiment and theory
- 1 July 1986
- journal article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section A Foundations of Crystallography
- Vol. 42 (4) , 271-281
- https://doi.org/10.1107/s0108767386099312
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].Keywords
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