Abstract

A new low-energy structural model for interstitial hydrogen in P- and As-doped crystalline Si is proposed. The calculated H-vibrational frequencies of 1290 ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$ for the stretching mode and 715 ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$ for the wagging mode are in much closer agreement with infrared data of 1555 and 809 ${\mathrm{cm}}^{\mathrm{\ensuremath{-}}1}$, respectively, than for any previously suggested model.

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