Metastable VO2 complexes in silicon: experimental and theoretical modeling studies
(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:
https://lup.lub.lu.se/record/210236
- author
- Murin, LI ; Lindström, Lennart LU ; Markevich, VP ; Medvedeva, IF ; Torres, VJB ; Coutinho, J ; Jones, R and Briddon, PR
- organization
- publishing date
- 2005
- 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}}, }