Evidence for H2* trapped by carbon impurities in silicon

• 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.

Ämnesord

NATURVETENSKAP  -- Matematik -- Beräkningsmatematik (hsv//swe)

NATURAL SCIENCES  -- Mathematics -- Computational Mathematics (hsv//eng)

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Scientific Computing

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