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Predominance of non-adiabatic effects in zero-point renormalization of the electronic band gap
Anna Miglio, Véronique Brousseau-Couture, Emile Godbout +6
Electronic and optical properties of materials are affected by atomic motion through the electron-phonon interaction: not only band gaps change with temperature, but even at absolu…
Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene
Florian Brown-Altvater, Gabriel Antonius, Tonatiuh Rangel +5
Organic molecular crystals are expected to feature appreciable electron-phonon interactions that influence their electronic properties at zero and finite temperature. In this work,…
Phonon-limited electron mobility in Si, GaAs and GaP with exact treatment of dynamical quadrupoles
Guillaume Brunin, Henrique Pereira Coutada Miranda, Matteo Giantomassi +6
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 interpo…
Electron-Phonon Beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids
Guillaume Brunin, Henrique Pereira Coutada Miranda, Matteo Giantomassi +6
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…