Hauptseite > Publikationsdatenbank > Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110) > print

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017 _ _ |a This version is available at the following Publisher URL: http://prl.aps.org
024 7 _ |a 10.1103/PhysRevLett.97.226401
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041 _ _ |a eng
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|a Physics, Multidisciplinary
100 1 _ |a Hedström, M.
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245 _ _ |a Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110)
260 _ _ |a College Park, Md.
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|c 2006
300 _ _ |a 226401
336 7 _ |a Journal Article
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336 7 _ |a article
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440 _ 0 |a Physical Review Letters
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|v 97
500 _ _ |a Record converted from VDB: 12.11.2012
520 _ _ |a 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.
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700 1 _ |a Schindlmayr, A.
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700 1 _ |a Schwarz, G.
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700 1 _ |a Scheffler, M.
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773 _ _ |a 10.1103/PhysRevLett.97.226401
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856 7 _ |u http://dx.doi.org/10.1103/PhysRevLett.97.226401
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