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-in itio modeling studies suggest that the two defects are two forms of the CH*2 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 m odes in good agreement with those observed experimentally. The defects are energetica lly favorable in comparison with separated Cs and H2 in Si and may represent aggregation sites for hydrogen.
|Number of pages||9|
|Journal||Defect and Diffusion Forum|
|Publication status||Published - 30 Nov 2003|
- impurity complexes
- absorption bands
Markevich, V. P., Hourahine, B., Newman, R. C., Jones, R., Kleverman, M., Lindström, J. L., ... Briddon, P. R. (2003). Stable hydrogen pair trapped at carbon impurities in silicon. Defect and Diffusion Forum, 221-223, 1-9. https://doi.org/10.4028/www.scientific.net/DDF.221-223.1