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首页> 外文期刊>Journal of Non-Crystalline Solids: A Journal Devoted to Oxide, Halide, Chalcogenide and Metallic Glasses, Amorphous Semiconductors, Non-Crystalline Films, Glass-Ceramics and Glassy Composites >Estimation of inter-atomic force constants and phonon dispersion using correlation effects among thermal displacement of atoms in Ge
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Estimation of inter-atomic force constants and phonon dispersion using correlation effects among thermal displacement of atoms in Ge

机译：利用Ge中原子的热位移之间的相关效应估计原子间力常数和声子弥散

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Neutron diffraction measurements have been performed on powder Ge at 6, 150 and 300 K. Oscillatory diffuse scattering intensity is clearly observed at 150 and 300 K. The diffuse scattering theory including correlation effects among thermal displacements of atoms is applied to background function in the Rietveld analysis. The inter-atomic distance and temperature dependence of the values of correlation effects are discussed. The force constants among the first, second and third nearest neighboring atoms in Ge are obtained from the values of correlation effects and Debye-Waller temperature parameters. A phonon dispersion spectrum in Λ [111] direction for Ge crystal has also been calculated at 80 K using inter-atomic force constants and the crystal structure.
机译：已经在6、150和300 K的粉末Ge上进行了中子衍射测量。在150和300 K清楚地观察到了振荡扩散散射强度。包括原子热位移之间的相关效应在内的扩散散射理论被应用于Rietveld的本底函数中。分析。讨论了原子间距离和温度对相关效应值的依赖性。 Ge的第一，第二和第三最邻近原子之间的力常数是从相关效应和Debye-Waller温度参数的值获得的。还使用原子间力常数和晶体结构在80 K下计算了Ge晶体在Λ[111]方向上的声子色散谱。

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