Shell-model interpolation of frozen phonons in cubic silicon carbide
- 15 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (9) , 5892-5898
- https://doi.org/10.1103/physrevb.39.5892
Abstract
We present results of ab initio calculations based on the density-functional method and using the norm-conserving pseudopotentials for the phonon frequencies and eigenvectors at the L point in cubic SiC. A shell model using, for the first time, as input the eigendisplacements at both X and L points, in addition to all the available experimental phonon frequencies and elastic constants, is constructed. This description of SiC fits into the existing uniform set of valence overlap shell models for III-V and II-VI compounds.Keywords
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