Bulletin of the American Physical Society
APS March Meeting 2019
Volume 64, Number 2
Monday–Friday, March 4–8, 2019; Boston, Massachusetts
Session P22: Electrons, Phonons, Electron-Phonon Scattering and Phononics IV
2:30 PM–5:30 PM,
Wednesday, March 6, 2019
BCEC
Room: 157C
Sponsoring
Units:
DCOMP DMP
Chair: David Parker, Oak Ridge National Laboratory
Abstract: P22.00004 : First-principles electronic lifetimes and phonon-limited mobility in Si, Diamond, GaP, GaN and SnO2*
3:30 PM–3:42 PM
Presenter:
Guillaume Brunin
(Universite catholique de Louvain)
Authors:
Guillaume Brunin
(Universite catholique de Louvain)
Henrique Miranda
(Universite catholique de Louvain)
Matteo Giantomassi
(Universite catholique de Louvain)
Gian-Marco Rignanese
(Universite catholique de Louvain)
Geoffroy Hautier
(Universite catholique de Louvain)
In this work, we compute the electronic lifetimes for Si, Diamond, GaP, GaN and SnO2, and explain how they are used to compute the intrinsic conductivity within the semi-classical Boltzmann transport equation. We compare the lifetimes obtained with EPW [3] and ABINIT [4] and explore ways to reduce the computational load while keeping a similar accuracy for the electronic lifetimes.
[1] Phys. Rev. B 97, 121201 (2018)
[2] Phys. Rev. B 94, 155105 (2016)
[3] Comp. Phys. Comm. 209, 116-133 (2016)
[4] Comp. Phys. Comm. 205, 106-131 (2016)
*GB acknowledges the FRS-F.N.R.S.
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