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Stable hydrogen pair trapped at carbon impurities in silicon
Centre for Electronic Materials, University of Manchester.
Theoretische Physik, Universität Paderborn.
Centre for Electronic Materials and Devices, Blackett Laboratory, Imperial College of Science.
School of Physics, University of Exeter.
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2003 (English)In: Diffusion and defect data, solid state data. Part A, Defect and diffusion forum, ISSN 1012-0386, E-ISSN 1662-9507, Vol. 221, 1-9 p.Article in journal (Refereed) Published
Abstract [en]

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 13C 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 possesess vibrational modes in good agreement with those observed experimentally. The defects are energetically favorable in comparison with separated Cs and H2 in Si and may represent aggregation sites for hydrogen.

Place, publisher, year, edition, pages
2003. Vol. 221, 1-9 p.
Research subject
Scientific Computing
URN: urn:nbn:se:ltu:diva-5096Local ID: 31df32c0-c351-11db-9ea3-000ea68e967bOAI: diva2:977970
Validerad; 2003; 20070223 (kani)Available from: 2016-09-29 Created: 2016-09-29Bibliographically approved

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Öberg, Sven
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