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- W2080365219 endingPage "1039" @default.
- W2080365219 startingPage "1034" @default.
- W2080365219 abstract "The vibrational spectra of atomically flat hydrogen- and deuterium-passivated Si(111)-(1 × 1) surfaces are investigated using theoretical and experimental techniques. An unexpected isotopic shift is observed for the Si−H bending mode when hydrogen is replaced with deuterium, with δ(Si−H) = 626 cm-1 and δ(Si−D) = 537 cm-1. The Si−H stretching mode, in contrast, behaves as expected with ν(Si−H) = 2083 cm-1 and ν(Si−D) = 1516 cm-1. Density functional studies reveal that the mode observed at 537 cm-1 is mostly a phonon mode, which results from the coupling of near-surface phonons with the lower frequency bending mode of the deuterated surface. This coupling causes a shift in the ordering of the expected vibrational modes when hydrogen is replaced by deuterium. We also suggest that such a mode around 535 cm-1 should be seen for many other surfaces and is a general feature of many monovalently terminated Si(111) surfaces." @default.
- W2080365219 created "2016-06-24" @default.
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- W2080365219 date "2008-01-01" @default.
- W2080365219 modified "2023-10-16" @default.
- W2080365219 title "Adsorbate−Surface Phonon Interactions in Deuterium-Passivated Si(111)-(1 × 1)" @default.
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- W2080365219 doi "https://doi.org/10.1021/jp0758768" @default.
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