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.
- impurity complexes
- absorption bands
Hourahine, B., Jones, R., Öberg, S., Briddon, P. R., Markevich, V. P., Newman, R. C., ... Suezawa, M. (2001). Evidence for H2* trapped by carbon impurities in silicon. Physica B: Condensed Matter, 308-310, 197-201. https://doi.org/10.1016/S0921-4526(01)00719-0