Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aeuh_v1_0.tar.gz(5650 Kbytes)|
|Manuscript Title: An accelerated algorithm for full band electron phonon scattering rate computation|
|Authors: Yanbiao Chu, Pierre Gautreau, Tarek Ragab, Cemal Basaran|
|Program title: Scattering_band_by_band|
|Catalogue identifier: AEUH_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 185(2014)3392|
|Programming language: Matlab.|
|Operating system: All.|
|RAM: Depends on problem, ~kB to MB|
|Keywords: Full band scattering, Accelerated algorithm.|
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.
In searching for possible scattering events, we propose here a band by band method, instead of the traditional point by point method. The whole calculation is parallelized in this sense and dramatically accelerated. Moreover, we proposed a representation method for all scattering mechanisms, which greatly simplified the coding task. Also, the additional animation part of this program demonstrates many insights into the scattering process.
To use the code directly, electron band and phonon band should have the same mesh size. In other words, for each phonon band and electron band, they should have the same number of data points.
If high speed is desired, it is best to turn off the animation function.
Running time depends on the problem size. For the example used in this paper, it takes about 144 seconds by 1 CPU on Dell PowerEdge 610 (A dual quad core server with CPU frequency of 3.0GHz).
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