Abstract

We present results of ab initio studies of the In/Si(111) surface. Our findings for the equilibrium structure confirm the double zigzag chain model in very good agreement with other calculations and measurements. The harmonic analysis of the lattice vibrations indicates strong surface modes, the spectrum of which shows features similar to that observed in a recent Raman study. The In-related modes possess low frequencies and. hence, should remain occupied also at temperatures of the phase transition.

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