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Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals

M. I. Katsnelson·A. F. Maksyutov·A. V. Trefilov
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Abstract

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.

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M. I. Katsnelson, A. F. Maksyutov, A. V. Trefilov. 2002-03-19. Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals. https://doi.org/10.1016/s0375-9601(02)00126-3

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