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Interstitial carbon-oxygen center and hydrogen related shallow thermal donors in Si

Coutinho, J; Jones, R; Briddon, PR; Oberg, S; Murin, LL; Markevich, VP and Lindström, J L LU (2002) In Physical Review B (Condensed Matter and Materials Physics) 65(1).
Abstract
The interstitial carbon-oxygen defect is a prominent defect formed in e-irradiated Cz-Si containing carbon. Previous stress alignment investigations have shown that the oxygen atom weakly perturb the carbon interstitial but the lack of a high-frequency oxygen mode has been taken to imply that the oxygen atom is severely affected and becomes overcoordinated. Local vibrational mode spectroscopy and ab initio modeling are used to investigate the defect. We find new modes whose oxygen isotopic shifts give further evidence for oxygen overcoordination. Moreover, we find that the calculated stress-energy tensor and energy levels are in good agreement with experimental values. The complexes formed by adding both single (CiOiH) and a pair of H... (More)
The interstitial carbon-oxygen defect is a prominent defect formed in e-irradiated Cz-Si containing carbon. Previous stress alignment investigations have shown that the oxygen atom weakly perturb the carbon interstitial but the lack of a high-frequency oxygen mode has been taken to imply that the oxygen atom is severely affected and becomes overcoordinated. Local vibrational mode spectroscopy and ab initio modeling are used to investigate the defect. We find new modes whose oxygen isotopic shifts give further evidence for oxygen overcoordination. Moreover, we find that the calculated stress-energy tensor and energy levels are in good agreement with experimental values. The complexes formed by adding both single (CiOiH) and a pair of H atoms (CiOiH2), as well as the addition of a second oxygen atom, are considered theoretically. It is shown that the first is bistable with a shallow donor and deep acceptor level, while the second is passive. The properties of CiOiH and CiO2iH are strikingly similar to the first two members of a family of shallow thermal donors that contain hydrogen. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Physical Review B (Condensed Matter and Materials Physics)
volume
65
issue
1
publisher
American Physical Society
external identifiers
  • wos:000173186000055
  • scopus:0036141765
ISSN
1098-0121
DOI
10.1103/PhysRevB.65.014109
language
English
LU publication?
yes
id
b9a722b9-6ffe-48fc-913f-194f6acdcfad (old id 346008)
date added to LUP
2007-08-15 11:39:38
date last changed
2017-07-23 04:45:17
@article{b9a722b9-6ffe-48fc-913f-194f6acdcfad,
  abstract     = {The interstitial carbon-oxygen defect is a prominent defect formed in e-irradiated Cz-Si containing carbon. Previous stress alignment investigations have shown that the oxygen atom weakly perturb the carbon interstitial but the lack of a high-frequency oxygen mode has been taken to imply that the oxygen atom is severely affected and becomes overcoordinated. Local vibrational mode spectroscopy and ab initio modeling are used to investigate the defect. We find new modes whose oxygen isotopic shifts give further evidence for oxygen overcoordination. Moreover, we find that the calculated stress-energy tensor and energy levels are in good agreement with experimental values. The complexes formed by adding both single (CiOiH) and a pair of H atoms (CiOiH2), as well as the addition of a second oxygen atom, are considered theoretically. It is shown that the first is bistable with a shallow donor and deep acceptor level, while the second is passive. The properties of CiOiH and CiO2iH are strikingly similar to the first two members of a family of shallow thermal donors that contain hydrogen.},
  author       = {Coutinho, J and Jones, R and Briddon, PR and Oberg, S and Murin, LL and Markevich, VP and Lindström, J L},
  issn         = {1098-0121},
  language     = {eng},
  number       = {1},
  publisher    = {American Physical Society},
  series       = {Physical Review B (Condensed Matter and Materials Physics)},
  title        = {Interstitial carbon-oxygen center and hydrogen related shallow thermal donors in Si},
  url          = {http://dx.doi.org/10.1103/PhysRevB.65.014109},
  volume       = {65},
  year         = {2002},
}