First-principles calculation of the AlAs/GaAs interface band structure using a self-energy-corrected local density approximation

Ribeiro, Jr., M.; Fonseca, L. R. C.; Ferreira, L. G.

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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

First-principles calculation of the AlAs/GaAs interface band structure using a self-energy-corrected local density approximation

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Author(s):	Ribeiro, Jr., M. ^{[1, 2]} ; Fonseca, L. R. C. ^[2] ; Ferreira, L. G. ^[1] Total Authors: 3
Affiliation:	^[1] Univ Sao Paulo, Inst Phys, BR-05315970 Sao Paulo - Brazil ^[2] Wernher von Braun Ctr Adv Res, BR-13098392 Campinas, SP - Brazil Total Affiliations: 2
Document type:	Journal article
Source:	EPL; v. 94, n. 2 APR 2011.
Web of Science Citations:	24
Abstract
We apply a self-energy-corrected local density approximation (LDA) to obtain corrected bulk band gaps and to study the band offsets of AlAs grown on GaAs (AlAs/GaAs). We also investigate the Al(x)Ga(1-x)As/GaAs alloy interface, commonly employed in band gap engineering. The calculations are fully ab initio, with no adjustable parameters or experimental input, and at a computational cost comparable to traditional LDA. Our results are in good agreement with experimental values and other theoretical studies. Copyright (C) EPLA, 2011 (AU)

FAPESP's process:	06/05858-0 - Theoretical study of semiconductor alloys for applications in spintronics and optoelectronics
Grantee:	Lara Kühl Teles
Support Opportunities:	Research Grants - Young Investigators Grants

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