A Simple Bond Charge Model for the Phonon Dispersion Relations in Tellurium
1973; NRC Research Press; Volume: 51; Issue: 8 Linguagem: Inglês
10.1139/p73-114
ISSN1208-6045
Autores Tópico(s)High-pressure geophysics and materials
ResumoThe phonon dispersion relations in tellurium are calculated on the basis of a bond charge model. In this model the effects of covalent bonding are simulated by the action of point charges positioned midway between nearest neighboring atoms. The electrostatic forces are supplemented by two-body interactions between the atoms. A model with 5 adjustable parameters provides a fair overall representation of the dispersion curves.
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