https://doi.org/10.1051/epjap:2002054
Estimation of the Debye temperature for crystals with polyatomic unit cell
1
Byelorussian State University, F. Skariny Av. 4, 220050 Minsk,
Republic of Belarus
2
Bruker AXS, Östl. Rheinbrückenstr. 50, 76187 Karlsruhe, Germany
Corresponding author: Alex.ulyanenkov@bruker-axs.de
Received:
7
March
2002
Revised:
23
May
2002
Accepted:
4
June
2002
Published online:
24
July
2002
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.
PACS: 34.20.Cf – Interatomic potentials and forces / 61.10.Dp – Theories of diffraction and scattering / 63.20.Dj – Phonon states and bands, normal modes, and phonon dispersion
© EDP Sciences, 2002
