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