Phonon Dispersion Calculations for Trigonal Selenium
The phonon dispersion relations for trigonal selenium have been calculated using a force field differing in three respects from those employed previously. First, the significant interactions are defined for symmetrical configurations of atoms and for each such configuration the coordinates used in the potential energy belong to representations of the symmetry group for that configuration. Second, symmetrized valence coordinates are used to express the relatively strong intra-spiral interactions and, third, the weaker inter-spiral forces are given in terms of relative translations and relative rotations of the atoms in nearest neighbor primitive cells on adjecent spirals. We call these coordinates relative motion coordinates.
KeywordsPhonon Dispersion Symmetry Operation Phonon Dispersion Relation Bond Stretch Relative Translation
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