论文标题
Electron-PhononFröhlich:极性和共价固体中的动态四极杆
Electron-Phonon Beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids
论文作者
论文摘要
我们包括在半导体中第一原理电子顶点中Fröhlich相互作用以外的四极场的处理。这样的四极电场诱导了远程相互作用,这些相互作用必须考虑到准确的物理结果。我们将形式主义应用于Si(非极性),GAAS和GAP(Polar),并证明如果没有适当处理动态四极杆,则电子迁移率显示出很大的误差。
We include the treatment of quadrupolar fields beyond the Fröhlich interaction in the first-principles electron-phonon vertex in semiconductors. Such quadrupolar fields induce long-range interactions that have to be taken into account for accurate physical results. We apply our formalism to Si (nonpolar), GaAs, and GaP (polar) and demonstrate that electron mobilities show large errors if dynamical quadrupoles are not properly treated.