---
_id: '18597'
abstract:
- lang: eng
text: 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.
article_number: '226401'
article_type: original
author:
- first_name: Magnus
full_name: Hedström, Magnus
last_name: Hedström
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Günther
full_name: Schwarz, Günther
last_name: Schwarz
- first_name: Matthias
full_name: Scheffler, Matthias
last_name: Scheffler
citation:
ama: 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
apa: 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
bibtex: '@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} }'
chicago: 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.
ieee: '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.'
mla: 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.
short: M. Hedström, A. Schindlmayr, G. Schwarz, M. Scheffler, Physical Review Letters
97 (2006).
date_created: 2020-08-28T18:02:16Z
date_updated: 2022-11-11T06:49:23Z
ddc:
- '530'
doi: 10.1103/PhysRevLett.97.226401
extern: '1'
external_id:
arxiv:
- cond-mat/0611639
isi:
- '000242538700040'
pmid:
- '17155819'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T18:04:00Z
date_updated: 2020-08-30T15:54:01Z
description: Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)
file_id: '18598'
file_name: PhysRevLett.97.226401.pdf
file_size: 122754
relation: main_file
title: Quasiparticle corrections to the electronic properties of anion vacancies
at GaAs(110) and InP(110)
file_date_updated: 2020-08-30T15:54:01Z
has_accepted_license: '1'
intvolume: ' 97'
isi: '1'
issue: '22'
language:
- iso: eng
oa: '1'
pmid: '1'
publication: Physical Review Letters
publication_identifier:
eissn:
- 1079-7114
issn:
- 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Quasiparticle corrections to the electronic properties of anion vacancies at
GaAs(110) and InP(110)
type: journal_article
user_id: '458'
volume: 97
year: '2006'
...
---
_id: '18622'
abstract:
- lang: eng
text: We present a general procedure for obtaining progressively more accurate functional
expressions for the electron self-energy by iterative solution of Hedin's coupled
equations. The iterative process starting from Hartree theory, which gives rise
to the GW approximation, is continued further, and an explicit formula for the
vertex function from the second full cycle is given. Calculated excitation energies
for a Hubbard Hamiltonian demonstrate the convergence of the iterative process
and provide further strong justification for the GW approximation.
article_type: original
author:
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Rex William
full_name: Godby, Rex William
last_name: Godby
citation:
ama: Schindlmayr A, Godby RW. Systematic vertex corrections through iterative solution
of Hedin’s equations beyond the GW approximation. Physical Review Letters.
1998;80(8):1702-1705. doi:10.1103/PhysRevLett.80.1702
apa: Schindlmayr, A., & Godby, R. W. (1998). Systematic vertex corrections through
iterative solution of Hedin’s equations beyond the GW approximation. Physical
Review Letters, 80(8), 1702–1705. https://doi.org/10.1103/PhysRevLett.80.1702
bibtex: '@article{Schindlmayr_Godby_1998, title={Systematic vertex corrections through
iterative solution of Hedin’s equations beyond the GW approximation}, volume={80},
DOI={10.1103/PhysRevLett.80.1702},
number={8}, journal={Physical Review Letters}, publisher={American Physical Society},
author={Schindlmayr, Arno and Godby, Rex William}, year={1998}, pages={1702–1705}
}'
chicago: 'Schindlmayr, Arno, and Rex William Godby. “Systematic Vertex Corrections
through Iterative Solution of Hedin’s Equations beyond the GW Approximation.”
Physical Review Letters 80, no. 8 (1998): 1702–5. https://doi.org/10.1103/PhysRevLett.80.1702.'
ieee: 'A. Schindlmayr and R. W. Godby, “Systematic vertex corrections through iterative
solution of Hedin’s equations beyond the GW approximation,” Physical Review
Letters, vol. 80, no. 8, pp. 1702–1705, 1998, doi: 10.1103/PhysRevLett.80.1702.'
mla: Schindlmayr, Arno, and Rex William Godby. “Systematic Vertex Corrections through
Iterative Solution of Hedin’s Equations beyond the GW Approximation.” Physical
Review Letters, vol. 80, no. 8, American Physical Society, 1998, pp. 1702–05,
doi:10.1103/PhysRevLett.80.1702.
short: A. Schindlmayr, R.W. Godby, Physical Review Letters 80 (1998) 1702–1705.
date_created: 2020-08-28T21:55:15Z
date_updated: 2022-11-11T06:59:10Z
ddc:
- '530'
doi: 10.1103/PhysRevLett.80.1702
extern: '1'
external_id:
arxiv:
- cond-mat/9710295
isi:
- '000072117600034'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T21:56:56Z
date_updated: 2020-08-30T16:18:20Z
description: © 1998 American Physical Society
file_id: '18623'
file_name: PhysRevLett.80.1702.pdf
file_size: 138164
relation: main_file
title: Systematic vertex corrections through iterative solution of Hedin's equations
beyond the GW approximation
file_date_updated: 2020-08-30T16:18:20Z
has_accepted_license: '1'
intvolume: ' 80'
isi: '1'
issue: '8'
language:
- iso: eng
oa: '1'
page: 1702-1705
publication: Physical Review Letters
publication_identifier:
eissn:
- 1079-7114
issn:
- 0031-9007
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Systematic vertex corrections through iterative solution of Hedin's equations
beyond the GW approximation
type: journal_article
user_id: '458'
volume: 80
year: '1998'
...