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• W2046209358 abstract "We apply a microscopic formulation to calculate the second harmonic spectra of clean and hydrogenated Si(100) surfaces. We find a trend of the surface-allowed ${E}_{1}$ resonance as a function of the hydrogen coverage, which is consistent with experiment. Another resonance at lower energy, recently observed at the clean surface, is also reproduced and explained in terms of transitions across surface states. Its quenching is clearly demonstrated as a function of hydrogen coverage. Our results for the energetically more favorable $c(4ifmmodetimeselsetexttimesfi{}2)$ structure are in better agreement with low temperature experimental data than those calculated for the $2ifmmodetimeselsetexttimesfi{}1$ reconstruction. We find that the spectra are dominated by the ${ensuremath{chi}}_{ensuremath{parallel}ensuremath{parallel}ensuremath{perp}}^{s}$ component of the second-order nonlinear surface susceptibility." @default.
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• W2046209358 date "1998-10-26" @default.
• W2046209358 modified "2023-10-16" @default.
• W2046209358 title "Microscopic Theory of Second Harmonic Generation at Si(100) Surfaces" @default.
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• W2046209358 doi "https://doi.org/10.1103/physrevlett.81.3781" @default.
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