X‐Ray Determination of Bond Charges in Silicon
- 1 November 1980
- journal article
- research article
- Published by Wiley in Physica Status Solidi (b)
- Vol. 102 (1) , 127-133
- https://doi.org/10.1002/pssb.2221020109
Abstract
A bond charge model is introduced for the reevaluation of X‐ray data for silicon with respect to the electron density. Spherical silicon atoms and bond charges are adjusted separatly. In contrast to the model of deformable valence orbitals the size and shape of the bond charge can be investigated directly. The results are compared with calculations from empirical pseudopotentials and from the Dawson model of deformable orbitals.Keywords
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