Stable hydrogen pair trapped at carbon impurities in silicon

Markevich, VP; Hourahine, B; Newman, RC; Jones, R; Kleverman, M; Lindstrom, JL; Murin, LI; Suezawa, M; Oberg, S; Briddon, PR

doi:10.4028/www.scientific.net/DDF.221-223.1

Stable hydrogen pair trapped at carbon impurities in silicon

Lookup NU author(s): Professor Patrick Briddon

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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.