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Quasiharmonic lattice dynamics of Bravais lattices. II. Rhombohedral lattice with short-range central forces

T H K Barron and T G Gibbons

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For pt. I, see ibid., vol.7, no.18, 3260 (1974). A detailed study is undertaken of the physical mechanism underlying the quasi-harmonic lattice dynamics of the rhombohedral lattice model with nearest-neighbour central force interactions. The study provides both a formal and a conceptual understanding of the behaviour of the normal mode frequencies, directions of polarization and Gruneisen parameters. The anisotropy of the model can be varied and its effect on the microscopic vibrational properties is elucidated. As examples, results are presented for two extremes of anisotropy, together with results for the special case of cubic symmetry.


PACS

63.20.D- Phonon states and bands, normal modes, and phonon dispersion

63.70.+h Statistical mechanics of lattice vibrations and displacive phase transitions

61.50.Ah Theory of crystal structure, crystal symmetry; calculations and modeling

Subjects

Condensed matter: structural, mechanical & thermal

Dates

Issue 18 (21 September 1974)



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