Local vibrational modes of weakly bound O-H complexes in SI

• Local vibrational modes of two oxygen-hydrogen complexes have been identified with infrared absorption spectroscopy. Samples of intrinsic silicon and samples doped with 16O or 18O isotopes were implanted with protons and deuterons at ∼20 K. After the implantation, infrared absorbance spectra were measured at 8 K on unannealed samples. An oxygen mode at 1077 cm-1 and a hydrogen mode at 1879 cm-1, which originate from the same defect OHI were observed in the as-implanted samples. Heat-treatment at 200 K produced a new center OHII with modes at 1028 and 1830 cm-1. OHI anneals out at ∼130 K while OHII is stable up to ∼240 K. OHI and OHII are tentatively identified with two complexes of interstitial oxygen and bond-centred hydrogen. Ab initio theory was applied to calculate the structure and local modes of three such complexes. The results qualitatively support our tentative assignments.

Ämnesord

NATURVETENSKAP  -- Matematik -- Beräkningsmatematik (hsv//swe)

NATURAL SCIENCES  -- Mathematics -- Computational Mathematics (hsv//eng)

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Scientific Computing

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