Using first principles calculations, the vibronic properties of hydrogen in a silicon vacancy (VSi+H) are investigated in 3C-SiC. The calculations show that the neutral VSi+H complex, which can bind an exciton, is stable only in lightly p-type SiC. This result is consistent with the experimental findings. The calculations are able to account well for the observed anharmonicity of the C-H stretch vibrations, up to the third harmonic, and for the isotope effects.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)