Title
Ab initio based atomic scattering amplitudes and {002} electron structure factors of <tex>$In_{x}Ga_{1-x}As/GaAs$</tex> quantum wells Ab initio based atomic scattering amplitudes and {002} electron structure factors of <tex>$In_{x}Ga_{1-x}As/GaAs$</tex> quantum wells
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Bristol ,
Subject
Physics
Source (journal)
Journal of physics : conference series. - Bristol
Volume/pages
209(2010) :1 , p. 012040,1-012040,6
ISSN
1742-6588
1742-6596
ISI
000283739100040
Carrier
E-only publicatie
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The atomic scattering amplitudes of the various atoms of the systems Ga1−xInxAs, GaAs1−xNx and InAs1−xNx are calculated using the density functional theory (DFT) approach. The scattering amplitudes of N, Ga, As and In in the model systems are compared with the frequently used Doyle and Turner values. Deviation from the latter values is found for small scattering vectors (s<0.3Å−1) and for these scattering vectors dependence on the orientation of the scattering vector and the chemical environment is reported. We suggest a parametrization of these modified scattering amplitudes (MASAs) for small scattering vectors (s<1.0Å−1). The MASAs are exploited within zero pressure classical Metropolis Monte Carlo (MC), finite temperature calculations to investigate the effect of quantum well size on the electron {002} structure factor (SF) of Ga1−xInxAs quantum wells.
Full text (open access)
https://repository.uantwerpen.be/docman/irua/a33b3b/bfc56ef2.pdf
E-info
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