Elsevier Science Home
Computer Physics Communications Program Library
Full text online from Science Direct
Programs in Physics & Physical Chemistry
CPC Home

[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.
Classification: 7.9.

Nature of problem:
Determine carrier mobility from first-principles in disordered semiconductors as a function of temperature, electric field and carrier concentration.

Solution method:
Iteratively solve master equation with carrier state energy and transition rates determined from first-principles.

Restrictions:
Mobility for disordered semiconductors where the carrier wave-functions are localized and the carrier transport is due to phonon-assisted hopping mechanism.

Running time:
Depending on the system size (about an hour for the example here).