%0 Journal Article
%A Hedström, M.
%A Schindlmayr, A.
%A Schwarz, G.
%A Scheffler, M.
%T Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110)
%J Physical review letters
%V 97
%@ 0031-9007
%C College Park, Md.
%I APS
%M PreJuSER-54039
%P 226401
%D 2006
%Z Record converted from VDB: 12.11.2012
%X 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.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000242538700040
%R 10.1103/PhysRevLett.97.226401
%U https://juser.fz-juelich.de/record/54039