Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals

Explicit expressions for anharmonic contributions to the thermodynamic properties with allowance for higher-order phonon–phonon interactions for closed-packed crystals are given, and the calculations for some fcc metals near the melting (Ir, Rh) and martensite phase transition (Ca, Sr) points are ca...

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Bibliographic Details
Published in:Physics letters. A 2002-03, Vol.295 (1), p.50-54
Main Authors: Katsnelson, M.I., Maksyutov, A.F., Trefilov, A.V.
Format: Article
Language:English
Subjects:
Anharmonic thermodynamics
Computation
Heat capacity
Martensite phase transition
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Summary:Explicit expressions for anharmonic contributions to the thermodynamic properties with allowance for higher-order phonon–phonon interactions for closed-packed crystals are given, and the calculations for some fcc metals near the melting (Ir, Rh) and martensite phase transition (Ca, Sr) points are carried out. A detailed comparison of anharmonic and electron contributions to the heat capacity of these metals is carried out. The computational results for high-temperature heat capacity agree well with the available experimental data.
ISSN:0375-9601
1873-2429
DOI:10.1016/S0375-9601(02)00126-3