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arxiv: cond-mat/0201412 · v2 · submitted 2002-01-23 · ❄️ cond-mat.mtrl-sci

Peculiarities of anharmonic effects in the lattice thermodynamics of fcc metals

classification ❄️ cond-mat.mtrl-sci
keywords anharmonicmetalscapacitycarriedcontributionsheatagreeallowance
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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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