Symmetric lattice distortions around deep-level impurities in semiconductors: Vacancy and substitutional Cu in silicon
(1983) In Physical Review B (Condensed Matter and Materials Physics) 28(8). p.4510-4518- Abstract
- A model based on the electrostatic Hellmann-Feynman theorem and an empirical valence-force potential has been used to study breathing-mode distortions around the vacancy and substitutional Cu in silicon. The calculation of the forces driving the distortion is based on a self-consistent calculation of the charge-density perturbation. In both cases considered, the author finds an outward breathing-mode distortion of the lattice. By using a Cubic-harmonics expansion of the charge density, the structure of the forces can be examined. It is found that the outward breathing-mode distortion is caused mainly by the reduced charge anisotropy around the defect, which is a result of the defect-induced deficiency in the number of valence electrons.... (More)
- A model based on the electrostatic Hellmann-Feynman theorem and an empirical valence-force potential has been used to study breathing-mode distortions around the vacancy and substitutional Cu in silicon. The calculation of the forces driving the distortion is based on a self-consistent calculation of the charge-density perturbation. In both cases considered, the author finds an outward breathing-mode distortion of the lattice. By using a Cubic-harmonics expansion of the charge density, the structure of the forces can be examined. It is found that the outward breathing-mode distortion is caused mainly by the reduced charge anisotropy around the defect, which is a result of the defect-induced deficiency in the number of valence electrons. Distortion amplitudes and the spatial extension of the distortion fields are also calculated for the fully relaxed lattice.(38 refs) (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/8831962
- author
- Lindefelt, Ulf
- publishing date
- 1983
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review B (Condensed Matter and Materials Physics)
- volume
- 28
- issue
- 8
- pages
- 4510 - 4518
- publisher
- American Physical Society
- external identifiers
-
- scopus:0043281297
- ISSN
- 1098-0121
- DOI
- 10.1103/PhysRevB.28.4510
- language
- English
- LU publication?
- no
- additional info
- DOI: 10.1103/PhysRevB.28.4510
- id
- b49835a5-e504-41b2-ac73-1d60a0fd6b65 (old id 8831962)
- date added to LUP
- 2016-04-04 09:10:58
- date last changed
- 2021-01-03 03:27:33
@article{b49835a5-e504-41b2-ac73-1d60a0fd6b65,
abstract = {{A model based on the electrostatic Hellmann-Feynman theorem and an empirical valence-force potential has been used to study breathing-mode distortions around the vacancy and substitutional Cu in silicon. The calculation of the forces driving the distortion is based on a self-consistent calculation of the charge-density perturbation. In both cases considered, the author finds an outward breathing-mode distortion of the lattice. By using a Cubic-harmonics expansion of the charge density, the structure of the forces can be examined. It is found that the outward breathing-mode distortion is caused mainly by the reduced charge anisotropy around the defect, which is a result of the defect-induced deficiency in the number of valence electrons. Distortion amplitudes and the spatial extension of the distortion fields are also calculated for the fully relaxed lattice.(38 refs)}},
author = {{Lindefelt, Ulf}},
issn = {{1098-0121}},
language = {{eng}},
number = {{8}},
pages = {{4510--4518}},
publisher = {{American Physical Society}},
series = {{Physical Review B (Condensed Matter and Materials Physics)}},
title = {{Symmetric lattice distortions around deep-level impurities in semiconductors: Vacancy and substitutional Cu in silicon}},
url = {{https://lup.lub.lu.se/search/files/5254170/8835402.pdf}},
doi = {{10.1103/PhysRevB.28.4510}},
volume = {{28}},
year = {{1983}},
}