Abstract

Valence force field calculations of the lattice dynamics of trigonal Se and Te have not been able not been able to provide a good description of the elastic constants and long wavelength optic modes. We have developed a more complete description of the inter-chain forces that is based on the directional character of these bonds and that considers a competition between the primary intra-chain bonds and the secondary inter-chain bonds. This approaches provides a good description of the phonon description, and accounts for other properties as well, e.g ., the pressure dependence of the Raman modes.

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