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1971
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R. K. Gupta, « Phonon dispersion in rare-gas crystals », Bulletins de l'Académie Royale de Belgique, ID : 10.3406/barb.1971.61968
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A central-force, rigid-atom model has been used to study the lattice dynamics of frozen rare gases. The model assumes central, short-range, two-body forces derivable from a modified Buckingham (exp, 6) potential. The intermolecular potential parameters of rare-gas solids have been calculated using crystal data of the sublimation energy and lattice spacing extrapolated to 0°K. The model takes account of zero-point energy and its volume derivatives by the Debye-theory of specific heats. The contribution of cubic and quartic terms of potential energy expansion to lattice free energy at 0°K has been taken into account by successive approximations. The theoretical frequency distribution and phonon dispersion curves computed on the basis of Born-Karman theory, using the above potential parameters are found to compare reasonably well with the available experimental data.