Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids
(2020) Physical Review Letters — Vol. 125, n° 13, p. 136601 (2020)
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- Authors
Brunin, Guillaume 
Pereira Coutada Miranda, Henrique Royo, Miquel Hautier, Geoffroy
- Abstract
- 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.
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Citations
Brunin, G., Pereira Coutada Miranda, H., Giantomassi, M., Royo, M., Stengel, M., Verstraete, M. J., Gonze, X., Rignanese, G.-M., & Hautier, G. (2020). Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids. Physical Review Letters, 125(13), 136601. https://doi.org/10.1103/physrevlett.125.136601 (Original work published 2020)