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Characteristic features of anharmonic effects in the lattice dynamics of fcc metals

机译:晶格动力学中非谐效应的特征   fcc金属

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摘要

The dispersion in the entire Brillouin zone and the temperature dependence(right up to the melting temperature) of the anharmonic frequency shift andphonon damping in a number of fcc metals is investigated on the basis ofmicroscopic calculations. It is found that the anharmonic effects dependsharply on the wave vector in the directions $\Gamma$-X, X-W, and $\Gamma$-Land, in contrast to bcc metals, the magnitude of the effects is not due to thesoftness of the initial phonon spectrum. It is shown that the relativefrequency shifts and the phonon damping near melting do not exceed 10-20%. Therelative role of various anharmonic processes is examined, and the relationbetween the results obtained and existing experimental data is discussed.
机译:在微观计算的基础上,研究了在许多fcc金属中整个布里渊区的分散性以及非谐波频率偏移和声子阻尼的温度依赖性(直至熔化温度)。发现与bcc金属相反,非谐效应主要取决于方向为\\ Gamma $ -X,XW和$ \ Gamma $ -Land的波矢,而与bcc金属相反,其影响的幅度并非归因于bcc的柔软性。初始声子谱。结果表明,相对频移和接近熔化的声子阻尼不超过10-20%。研究了各种非谐过程的相对作用,并讨论了所得结果与现有实验数据之间的关系。

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