Advanced

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)
Please use this url to cite or link to this publication:
author
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 Ltd
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
2007-08-20 08:56:09
date last changed
2017-04-30 14:26:57
@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},
  keyword      = {vacancy-dioxygen,vibrational modes,silicon,modeling},
  language     = {eng},
  pages        = {223--228},
  publisher    = {Trans Tech Publications Ltd},
  series       = {Solid State Phenomena},
  title        = {Metastable VO2 complexes in silicon: experimental and theoretical modeling studies},
  volume       = {108-109},
  year         = {2005},
}