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

Autor(es)

Ribeiro, Jr., M. ^{[1, 2]} ; Fonseca, L. R. C. ^[2] ; Ferreira, L. G. ^[1]

Afiliação do(s) autor(es)

^[1] Univ Sao Paulo, Inst Phys, BR-05315970 Sao Paulo - Brazil

^[2] Wernher von Braun Ctr Adv Res, BR-13098392 Campinas, SP - Brazil

• Tipo de documento: Artigo Científico
• Fonte: EPL; v. 94, n. 2 APR 2011.
• Citações Web of Science: 24

Resumo

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)

• Processo FAPESP: 06/05858-0 - Estudo teórico de ligas semicondutoras com aplicações em spintrônica e optoeletrônica
• Beneficiário: Lara Kühl Teles
• Modalidade de apoio: Auxílio à Pesquisa - Jovens Pesquisadores