Surface phonons of hydrogen-terminated semiconductor surfaces. II. The H:C(111)-(1×1) system

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Abstract
The surface-phonon spectrum for the hydrogen-terminated diamond (111)-(1×1) surface resulting from our semiempirical total-energy approach is presented and discussed. We compare our results, in addition, with previous results for H:Si(111)-(1×1) that were found to be in excellent agreement with a whole body of high-resolution electron-energy-loss-spectroscopy data. In particular, we scrutinize the physical origin of specific surface modes in this comparison. Differences between H:C(111)-(1×1) and H:Si(111)-(1×1), which are due to the distinctly different mass misfits between adsorbate and substrate atoms in the two systems, are made transparent by these considerations.