TY  - JOUR
AU  - Hedström, M.
AU  - Schindlmayr, A.
AU  - Schwarz, G.
AU  - Scheffler, M.
TI  - Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110)
JO  - Physical review letters
VL  - 97
SN  - 0031-9007
CY  - College Park, Md.
PB  - APS
M1  - PreJuSER-54039
SP  - 226401
PY  - 2006
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000242538700040
DO  - DOI:10.1103/PhysRevLett.97.226401
UR  - https://juser.fz-juelich.de/record/54039
ER  -