Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)
M. Hedström, A. Schindlmayr, G. Schwarz, M. Scheffler, Physical Review Letters 97 (2006).
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Hedström, Magnus;
Schindlmayr, ArnoLibreCat 
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Schwarz, Günther;
Scheffler, Matthias
;
Schwarz, Günther;
Scheffler, MatthiasAbstract
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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Physical Review Letters
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97
Issue
22
Article Number
226401
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Hedström M, Schindlmayr A, Schwarz G, Scheffler M. Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). Physical Review Letters. 2006;97(22). doi:10.1103/PhysRevLett.97.226401
Hedström, M., Schindlmayr, A., Schwarz, G., & Scheffler, M. (2006). Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110). Physical Review Letters, 97(22), Article 226401. https://doi.org/10.1103/PhysRevLett.97.226401
@article{Hedström_Schindlmayr_Schwarz_Scheffler_2006, title={Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)}, volume={97}, DOI={10.1103/PhysRevLett.97.226401}, number={22226401}, journal={Physical Review Letters}, publisher={American Physical Society}, author={Hedström, Magnus and Schindlmayr, Arno and Schwarz, Günther and Scheffler, Matthias}, year={2006} }
Hedström, Magnus, Arno Schindlmayr, Günther Schwarz, and Matthias Scheffler. “Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110).” Physical Review Letters 97, no. 22 (2006). https://doi.org/10.1103/PhysRevLett.97.226401.
M. Hedström, A. Schindlmayr, G. Schwarz, and M. Scheffler, “Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110),” Physical Review Letters, vol. 97, no. 22, Art. no. 226401, 2006, doi: 10.1103/PhysRevLett.97.226401.
Hedström, Magnus, et al. “Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110).” Physical Review Letters, vol. 97, no. 22, 226401, American Physical Society, 2006, doi:10.1103/PhysRevLett.97.226401.
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