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Metastable VO2 complexes in silicon: experimental and theoretical modeling studies

Murin, LI ; Lindström, Lennart LU ; Markevich, VP ; Medvedeva, IF ; Torres, VJB ; Coutinho, J ; Jones, R and Briddon, PR (2005) In Solid State Phenomena 108-109. p.223-228
Abstract
We report on a combined experimental and theoretical study of the metastable form of the vacancy-dioxygen defect in Si labeled VO2*. Important new experimental observations are the 2 detection of mixed local vibrational modes of VO*(2) in O-16, O-18 co-doped samples, the determination of the position of LVM bands for the negatively charged defect, and an assignment of an acceptor level at about E-c - 0.05 eV. Defect energetics, electrical levels and LVM frequencies of the VO*(2) complex are also investigated by ab-initio density-functional modeling. We find it to be a bistable defect which accounts well for the experimental data. The metastable form produces an acceptor state at similar to 0.05 eV below E-c, and can be thought of as a VO... (More)
We report on a combined experimental and theoretical study of the metastable form of the vacancy-dioxygen defect in Si labeled VO2*. Important new experimental observations are the 2 detection of mixed local vibrational modes of VO*(2) in O-16, O-18 co-doped samples, the determination of the position of LVM bands for the negatively charged defect, and an assignment of an acceptor level at about E-c - 0.05 eV. Defect energetics, electrical levels and LVM frequencies of the VO*(2) complex are also investigated by ab-initio density-functional modeling. We find it to be a bistable defect which accounts well for the experimental data. The metastable form produces an acceptor state at similar to 0.05 eV below E-c, and can be thought of as a VO defect perturbed by interstitial oxygen. (Less)
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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
vacancy-dioxygen, vibrational modes, silicon, modeling
in
Solid State Phenomena
volume
108-109
pages
223 - 228
publisher
Trans Tech Publications
external identifiers
  • wos:000234198300035
  • scopus:33750306713
ISSN
1012-0394
language
English
LU publication?
yes
id
ef559353-d394-4f63-b587-dcc769e946ea (old id 210236)
date added to LUP
2016-04-01 16:30:21
date last changed
2022-01-28 20:12:17
@article{ef559353-d394-4f63-b587-dcc769e946ea,
  abstract     = {{We report on a combined experimental and theoretical study of the metastable form of the vacancy-dioxygen defect in Si labeled VO2*. Important new experimental observations are the 2 detection of mixed local vibrational modes of VO*(2) in O-16, O-18 co-doped samples, the determination of the position of LVM bands for the negatively charged defect, and an assignment of an acceptor level at about E-c - 0.05 eV. Defect energetics, electrical levels and LVM frequencies of the VO*(2) complex are also investigated by ab-initio density-functional modeling. We find it to be a bistable defect which accounts well for the experimental data. The metastable form produces an acceptor state at similar to 0.05 eV below E-c, and can be thought of as a VO defect perturbed by interstitial oxygen.}},
  author       = {{Murin, LI and Lindström, Lennart and Markevich, VP and Medvedeva, IF and Torres, VJB and Coutinho, J and Jones, R and Briddon, PR}},
  issn         = {{1012-0394}},
  keywords     = {{vacancy-dioxygen; vibrational modes; silicon; modeling}},
  language     = {{eng}},
  pages        = {{223--228}},
  publisher    = {{Trans Tech Publications}},
  series       = {{Solid State Phenomena}},
  title        = {{Metastable VO2 complexes in silicon: experimental and theoretical modeling studies}},
  volume       = {{108-109}},
  year         = {{2005}},
}