We describe a new approach to compute the electron-phonon self-energy and carrier mobilities in semiconductors. Our implementation does not require a localized basis set to interpolate the electron-phonon matrix elements, with the advantage that computations can be easily automated. Scattering potentials are interpolated on dense $\mathbf{q}$ meshes using Fourier transforms and ab initio models to describe the long-range potentials generated by dipoles and quadrupoles. To reduce significantly the computational cost, we take advantage of crystal symmetries and employ the linear tetrahedron method and double-grid integration schemes, in conjunction with filtering techniques in the Brillouin zone. We report results for the electron mobility in Si, GaAs, and GaP obtained with this new methodology.

中文翻译：

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Si，GaAs和GaP中受声子限制的电子迁移率，通过动态四极杆的精确处理

我们描述了一种计算半导体中电子-声子自能和载流子迁移率的新方法。我们的实现不需要局部基础集来内插电子声子矩阵元素，其优点是可以轻松地自动进行计算。散射电势插值到密集$\mathbf{q}$使用傅立叶变换和从头算模型对网格进行描述，以描述由偶极和四极产生的远距离电势。为了显着降低计算成本，我们利用了晶体对称性，并采用了线性四面体方法和双网格积分方案，并结合了布里渊区的滤波技术。我们报告了通过这种新方法获得的Si，GaAs和GaP中电子迁移率的结果。