caa a22 4500 463214277 CHVBK 20180405153151.0 cr unu---uuuuu 170326e20070301xx s 000 0 eng 10.1007/s00339-006-3786-7 doi (NATIONALLICENCE)springer-10.1007/s00339-006-3786-7 Intervalley scattering in GaAs: ab initio calculation of the effective parameters for Monte Carlo simulations [Elektronische Daten] [J. Sjakste, V. Tyuterev, N. Vast] Interactions between excited electrons and short-wavelength (intervalley) phonons in GaAs are studied using density functional theory for the conduction bands, and density functional perturbation theory for phonon frequencies and matrix elements of the electron-phonon interaction. We have calculated the deformation potentials (DPs) and the average intervalley scattering time 〈τ〉. The integration of the scattering probabilities over all possible final states in the Brillouin zone has been performed without any ad hoc assumption about the behavior of the electron-phonon matrix elements nor the topology of the conduction band. For transitions from the L point to Γ valley (within the first conduction band), we find 〈τ〉L to be 1.5ps at 300K, in good agreement with time-resolved photoluminescence experiment. We discuss the difference between our calculated DPs, and effective parameters used in Monte Carlo simulations of optical and transport properties of semiconductors. The latter are based on Conwell's model, in which electron-phonon interaction is described by one single constant and a parabolic model is used for conduction bands. We deduce the effective DP from our 〈τ〉, and compare it to our calculated DPs. We conclude that only effective DPs obtained from a full calculation of 〈τ〉 are relevant parameters for Monte Carlo simulations. Springer-Verlag, 2006 Sjakste J. Laboratoire des Solides Irradiés, CEA/DSM-CNRS-Ecole Polytechnique, 91128, Palaiseau, France aut Tyuterev V. Laboratoire des Solides Irradiés, CEA/DSM-CNRS-Ecole Polytechnique, 91128, Palaiseau, France aut Vast N. Laboratoire des Solides Irradiés, CEA/DSM-CNRS-Ecole Polytechnique, 91128, Palaiseau, France aut Applied Physics A Springer-Verlag 86/3(2007-03-01), 301-307 0947-8396 86:3<301 2007 86 339 https://doi.org/10.1007/s00339-006-3786-7 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s00339-006-3786-7 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Sjakste J. Laboratoire des Solides Irradiés, CEA/DSM-CNRS-Ecole Polytechnique, 91128, Palaiseau, France aut NATIONALLICENCE 700 1- Tyuterev V. Laboratoire des Solides Irradiés, CEA/DSM-CNRS-Ecole Polytechnique, 91128, Palaiseau, France aut NATIONALLICENCE 700 1- Vast N. Laboratoire des Solides Irradiés, CEA/DSM-CNRS-Ecole Polytechnique, 91128, Palaiseau, France aut NATIONALLICENCE 773 0- Applied Physics A Springer-Verlag 86/3(2007-03-01), 301-307 0947-8396 86:3<301 2007 86 339 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer