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Evidence for H2* trapped by carbon impurities in silicon

Hourahine, B. and Jones, R. and Öberg, S. and Briddon, P.R. and Markevich, V.P. and Newman, R.C. and Hermansson, J. and Kleverman, M. and Lindstrom, J.L. and Murin, L.I. and Fukatah, N. and Suezawa, M. (2001) Evidence for H2* trapped by carbon impurities in silicon. Physica B: Condensed Matter, 308-310. pp. 197-201. ISSN 0921-4526

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Local mode spectroscopy and ab initio modelling 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 modelling 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.