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

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dc.creatorHedström, Magnus
dc.creatorSchindlmayr, Arno
dc.creatorSchwarz, Günther
dc.creatorScheffler, Matthias
dc.date2006-11-27
dc.date.accessioned2026-07-07T07:43:49Z
dc.date.available2026-07-07T07:43:49Z
dc.descriptionWe 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.
dc.description4 pages including 1 figure, RevTeX
dc.identifierhttps://arxiv.org/abs/cond-mat/0611639
dc.identifierhttp://arxiv.org/abs/cond-mat/0611639
dc.identifierPhys. Rev. Lett. 97, 226401 (2006).
dc.identifierdoi:10.1103/PhysRevLett.97.226401
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/122973
dc.subjectMaterials Science
dc.titleQuasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110)
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