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          Institute: Fritz-Haber-Institut     Collection: Theory     Display Documents



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ID: 291440.0, Fritz-Haber-Institut / Theory
Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)
Authors:Hedström, Magnus; Schindlmayr, Arno; Schwarz, Günther; Scheffler, Matthias
Language:English
Date of Publication (YYYY-MM-DD):2006-11-28
Title of Journal:Physical Review Letters
Journal Abbrev.:Phys. Rev. Lett.
Volume:97
Issue / Number:22
Start Page:226401-1
End Page:226401-4
Review Status:Peer-review
Audience:Experts Only
Abstract / Description:We propose a new method for calculating optical defect levels and thermodynamic charge-transition levels of point defects in semiconductors, which includes quasiparticle corrections to the Kohn-Sham eigenvalues of density-functional theory. Its applicability is demonstrated for anion vacancies at the (110) surfaces of III–V semiconductors. We find the (+/0) charge-transition level to be 0.49 eV above the surface valence-band maximum for GaAs(110) and 0.82 eV for InP(110). The results show a clear improvement over the local-density approximation and agree closely with an experimental analysis.
External Publication Status:published
Document Type:Article
Communicated by:Matthias Scheffler
Affiliations:Fritz-Haber-Institut/Theory
External Affiliations:Institut für Festkörperforschung, Forschungszentrum Jülich, 52425 Jülich, Germany

Lehrstuhl für Theoretische Festkörperphysik, Universität Erlangen-Nürnberg, Staudtstraße 7, 91058 Erlangen, Germany
Identifiers:URL:http://scitation.aip.org/getpdf/servlet/GetPDFServ... [Open Access CC BY 3.0]
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291440.pdf  [121,00 Kb] [Comment:arXiv:cond-mat/0611639v1 [cond-mat.mtrl-sci]]  
 
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