An accelerated algorithm for full band electron–phonon scattering rate computation

Published: 1 January 2014| Version 1 | DOI: 10.17632/srcxvhnrdm.1
Contributors:
Yanbiao Chu,
Pierre Gautreau,
Tarek Ragab,
Cemal Basaran

Description

Abstract Computing scattering rates of electrons and phonons stands at the core of studies of electron transport properties. In the high field regime, the interactions between all electron bands with all phonon bands need to be considered. This full band interaction implies a huge computational burden in calculating scattering rates. In this study, a new accelerated algorithm is presented for this task, which speeds up the computation by two orders of magnitude (100 times) and dramatically simplifies ... Title of program: Scattering_band_by_band Catalogue Id: AEUH_v1_0 Nature of problem Electron-phonon scattering is a fundamental problem in studying electron transport in condensed matters. There are situations where the scattering rates need to be updated frequently during a simulation, e.g. when hot phonon effects are considered. The speed of scattering calculation is very important in such cases. Versions of this program held in the CPC repository in Mendeley Data AEUH_v1_0; Scattering_band_by_band; 10.1016/j.cpc.2014.08.009 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)

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Physical Chemistry, Molecular Physics, Computational Physics

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