Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals

Details Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals

2002-01-23

arxiv.org/abs/cond-mat/0201412v2

Physics

Condensed Matter

Materials Science

8 pages, 5 Postscript figures, LaTeX

Scientific paper

10.1016/S0375-9601(02)00126-3

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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