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Overcoordinated hyd...
Overcoordinated hydrogens in the carbon vacancy : Donor centers of SiC
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- Gali, Adam (författare)
- Linköpings universitet,Tekniska högskolan,Institutionen för fysik, kemi och biologi
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- Aradi, B (författare)
- Tech Univ Budapest, Dept Atom Phys, H-1111 Budapest, Hungary Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden
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- Deak, P (författare)
- Tech Univ Budapest, Dept Atom Phys, H-1111 Budapest, Hungary Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden
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visa fler...
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- Choyke, WJ (författare)
- Tech Univ Budapest, Dept Atom Phys, H-1111 Budapest, Hungary Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden
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- Nguyen, Tien Son (författare)
- Linköpings universitet,Halvledarmaterial,Tekniska högskolan
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visa färre...
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(creator_code:org_t)
- 2000
- 2000
- Engelska.
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Ingår i: Physical Review Letters. - 0031-9007 .- 1079-7114. ; 84:21, s. 4926-4929
- Relaterad länk:
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https://urn.kb.se/re...
Abstract
Ämnesord
Stäng
- Epitaxial silicon carbide is likely to contain hydrogen and vacancies (V), therefore, V + nH complexes are likely to influence its electronic properties. Using ob initio calculations we show that neutral and positive H atoms are trapped by carbon vacancies (V-C) in three-center bonds with two Si neighbors. The double positive charge state of V-C + H is not stable in equilibrium and in the triply positive state H binds only to one of the Si neighbors. At most two H atoms can be accommodated by a single V-C. The V-C + nH complexes have donor character and exhibit rather atypical vibration modes for Si-H bonds. Occupation levels and spin distributions were calculated and compared fur V-C + H and V-C.
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- TECHNOLOGY
- TEKNIKVETENSKAP
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