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000054039 0247_ $$2DOI$$a10.1103/PhysRevLett.97.226401
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000054039 084__ $$2WoS$$aPhysics, Multidisciplinary
000054039 1001_ $$0P:(DE-HGF)0$$aHedström, M.$$b0
000054039 245__ $$aQuasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110)
000054039 260__ $$aCollege Park, Md.$$bAPS$$c2006
000054039 300__ $$a226401
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000054039 440_0 $$04925$$aPhysical Review Letters$$v97$$x0031-9007
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000054039 520__ $$aWe propose a new method for calculating optical defect levels and thermodynamic charge-transition levels of point defects in semiconductors, which includes quasiparticle corrections to the Kohn-Sham eigenvalues of density-functional theory. Its applicability is demonstrated for anion vacancies at the (110) surfaces of III-V semiconductors. We find the (+/0) charge-transition level to be 0.49 eV above the surface valence-band maximum for GaAs(110) and 0.82 eV for InP(110). The results show a clear improvement over the local-density approximation and agree closely with an experimental analysis.
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000054039 7001_ $$0P:(DE-Juel1)VDB20916$$aSchindlmayr, A.$$b1$$uFZJ
000054039 7001_ $$0P:(DE-HGF)0$$aSchwarz, G.$$b2
000054039 7001_ $$0P:(DE-HGF)0$$aScheffler, M.$$b3
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000054039 8567_ $$uhttp://hdl.handle.net/2128/1458$$uhttp://dx.doi.org/10.1103/PhysRevLett.97.226401
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