The thermalization of fast electrons by phonons is studied in CsI, NaI, ${\mathrm{SrI}}_2$, and ${\mathrm{YAlO}}_3$. This numerical study uses an improvement to a recently developed method based on a density functional perturbation description of the phonon modes that provides a way to go beyond widely used phonon models based on binary crystals. The method is compared to standard ab initio approaches to the electron-phonon interaction. Improvements to this method are described, and scattering rates are presented and discussed. The relative activity of the numerous phonon modes in materials with complicated structures is discussed, and a simple criterion for finding the modes that scatter strongly is presented.

中文翻译：

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复杂极性晶体中的电子-声子散射速率

在CsI，NaI， ${锶}_{\mathrm{2个}}$， 和 ${\mathrm{亚罗}}_3$。这项数值研究使用了一种基于声子模式的密度泛函扰动描述的最新开发方法的改进，该描述提供了一种超越基于二元晶体的广泛使用的声子模型的方法。该方法与标准的从头算方法进行了电子-声子相互作用的比较。描述了对该方法的改进，并提出并讨论了散射速率。讨论了具有复杂结构的材料中多种声子模的相对活性，并提出了寻找能强烈散射的模的简单准则。