The vibrational modes of a recently proposed diatomic hydrogen complex in Si are examined through ab initio pseudopotential calculations. The hydrogen atom occupying the bond-centered position of the complex is found to have a higher stretching frequency of 2070 cm^-1 as compared to 1480 cm^-1 for the antibonding-centered hydrogen atom. This frequency shift results from the different orbital hybridizations of the two central Si atoms of the complex.
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Chang et al. (1990) studied this question.
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