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

1995; American Physical Society; Volume: 51; Issue: 11 Linguagem: Inglês

10.1103/physrevb.51.7150

1095-3795

B. Sandfort, A. Mazur, J. Pollmann,

Advanced Chemical Physics Studies

The surface-phonon spectrum for the hydrogen-terminated diamond (111)-(1\ifmmode\times\else\texttimes\fi{}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\ifmmode\times\else\texttimes\fi{}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\ifmmode\times\else\texttimes\fi{}1) and H:Si(111)-(1\ifmmode\times\else\texttimes\fi{}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.