Construction of a dynamical matrix for an HCP crystal using phonon data at the symmetry points of the Brillouin zone and elastic constants

Journal Article · Sat Mar 15 04:00:00 EDT 2008 · Journal of Experimental and Theoretical Physics

DOI:https://doi.org/10.1134/S1063776108030102· OSTI ID:21075591

Khromov, K Yu ^[1]

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1. Russian Research Center Kurchatov Institute (Russian Federation)

General analytical expressions are obtained for the dynamical matrix D(k) and the elastic constants C{sub 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 {omega}{sub i}(N) at the symmetry points of the Brillouin zone and the elastic constants C{sub ik}. A number of relations between the values of {omega}{sub i}(N) and C{sub 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 0008.

• OSTI ID: 21075591
• Journal Information: Journal of Experimental and Theoretical Physics, Journal Name: Journal of Experimental and Theoretical Physics Journal Issue: 3 Vol. 106; ISSN JTPHES; ISSN 1063-7761
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
BRILLOUIN ZONES
CRYSTALS
HCP LATTICES
PHONONS
SPECTRA
SYMMETRY