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Estimation of the Debye temperature forcrystals with polyatomic unit cell

Published online by Cambridge University Press:  24 July 2002

I. D. Feranchuk
Affiliation:
Byelorussian State University, F. Skariny Av. 4, 220050 Minsk, Republic of Belarus
A. A. Minkevich
Affiliation:
Byelorussian State University, F. Skariny Av. 4, 220050 Minsk, Republic of Belarus
A. P. Ulyanenkov*
Affiliation:
Bruker AXS, Östl. Rheinbrückenstr. 50, 76187 Karlsruhe, Germany
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Abstract

Simple formula for microscopical estimation of the Debye temperature for polyatomic crystals is reported. It is based on the calculation of the force constants for arbitrary pair of interacting atoms by means of the phenomenological spectroscopy data for oscillation frequencies of homonuclear molecules. For that purporse a special combinative rule is suggested. The table of necessary parameters for calculation of Debye temperatures of arbitrary crystals and solid solutions is included.

Keywords

Type
Research Article
Copyright
© EDP Sciences, 2002

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