Stable hydrogen pair trapped at carbon impurities in silicon
(2003) In Defect and Diffusion Forum 221-2. p.1-9- Abstract
- Local mode spectroscopy and ab initio modeling are used to investigate two trigonal defects found in carbon rich Si into which H had been in-diffused. Isotopic shifts with D and C-13 are reported along with the effect of uniaxial stress. Ab-initio modeling studies suggest that the two defects are two forms of the CH2* complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si respectively. The two structures are nearly degenerate and possess vibrational modes in good agreement with those observed experimentally. The defects are energetically favorable in comparison with separated C-s and H-2 in Si and may represent aggregation sites for hydrogen.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/291096
- author
- Markevich, VP ; Hourahine, B ; Newman, RC ; Jones, R ; Kleverman, Mats LU ; Lindström, Lennart LU ; Murin, LI ; Suezawa, M ; Oberg, S and Briddon, PR
- organization
- publishing date
- 2003
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- impurity complexes, hydrogen, absorption bands, carbon, silicon
- in
- Defect and Diffusion Forum
- volume
- 221-2
- pages
- 1 - 9
- publisher
- Trans Tech Publications
- external identifiers
-
- wos:000187678500001
- scopus:10744222348
- ISSN
- 1012-0386
- language
- English
- LU publication?
- yes
- id
- c7152cac-855d-4424-9177-4dd1636254c7 (old id 291096)
- alternative location
- http://www.scientific.net/3-908450-83-7/
- date added to LUP
- 2016-04-01 16:30:43
- date last changed
- 2022-04-22 22:34:56
@article{c7152cac-855d-4424-9177-4dd1636254c7, abstract = {{Local mode spectroscopy and ab initio modeling are used to investigate two trigonal defects found in carbon rich Si into which H had been in-diffused. Isotopic shifts with D and C-13 are reported along with the effect of uniaxial stress. Ab-initio modeling studies suggest that the two defects are two forms of the CH2* complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si respectively. The two structures are nearly degenerate and possess vibrational modes in good agreement with those observed experimentally. The defects are energetically favorable in comparison with separated C-s and H-2 in Si and may represent aggregation sites for hydrogen.}}, author = {{Markevich, VP and Hourahine, B and Newman, RC and Jones, R and Kleverman, Mats and Lindström, Lennart and Murin, LI and Suezawa, M and Oberg, S and Briddon, PR}}, issn = {{1012-0386}}, keywords = {{impurity complexes; hydrogen; absorption bands; carbon; silicon}}, language = {{eng}}, pages = {{1--9}}, publisher = {{Trans Tech Publications}}, series = {{Defect and Diffusion Forum}}, title = {{Stable hydrogen pair trapped at carbon impurities in silicon}}, url = {{http://www.scientific.net/3-908450-83-7/}}, volume = {{221-2}}, year = {{2003}}, }