Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aejv_v1_0.tar.gz(8235 Kbytes)|
|Manuscript Title: A Fortran program for calculating electron or hole mobility in disordered semiconductors from first-principles|
|Authors: Zi Li, Xu Zhang, Gang Lu|
|Program title: FPMu|
|Catalogue identifier: AEJV_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 182(2011)2632|
|Programming language: Fortran 90.|
|Computer: Any architecture with a Fortran 90 compiler.|
|Operating system: Linux, Windows.|
|RAM: Proportional to the system size, in our example, 1.2 GB|
|Keywords: Carrier mobility, disordered semiconductors, first-principles.|
|PACS: 72.20.Ee, 71.15.Pd, 72.80.Le.|
Nature of problem:
Determine carrier mobility from first-principles in disordered semiconductors as a function of temperature, electric field and carrier concentration.
Iteratively solve master equation with carrier state energy and transition rates determined from first-principles.
Mobility for disordered semiconductors where the carrier wave-functions are localized and the carrier transport is due to phonon-assisted hopping mechanism.
Depending on the system size (about an hour for the example here).
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