Abstract
General analytical expressions are obtained for the dynamical matrix D(k) and the elastic constants C ik in an HCP crystal in terms of the Born-von Karman (BvK) parameters. An analytical method is proposed for constructing D(k) on the basis of data about the phonon frequencies ω i (N) at the symmetry points of the Brillouin zone and the elastic constants C ik . A number of relations between the values of ω i (N) and C ik are presented for conventional interaction models. It is shown that the standard method for determining BvK parameters by fitting them to experimental phonon spectra in HCP lattices is, as a rule, ambiguous, whereas the analytical method proposed allows one to find all the solutions of the problem. The methods developed are illustrated by the construction of dynamical matrices for Tb, Sc, Ti, and Co.
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Original Russian Text © V.G. Vaks, K. Yu. Khromov, 2008, published in Zhurnal Éksperimental’noĭ i Teoreticheskoĭ Fiziki, 2008, Vol. 133, No. 3, pp. 571–592.
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Vaks, V.G., Khromov, K.Y. Construction of a dynamical matrix for an HCP crystal using phonon data at the symmetry points of the Brillouin zone and elastic constants. J. Exp. Theor. Phys. 106, 495–516 (2008). https://doi.org/10.1134/S1063776108030102
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DOI: https://doi.org/10.1134/S1063776108030102