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Optical response of pi-conjugated molecular monolayer adsorbed on the semiconductor Si(001) surface: A first-principles study

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Original languageEnglish
Article number153311
Number of pages4
JournalPhysical Review B: Condensed Matter and Materials Physics
Volume71
Issue number15
DOIs
StatePublished - Apr 2005

Abstract

The modification of the semiconductor-surface optical response is investigated for the prototypical system of 9,10-phenanthrenequinone adsorbed on Si(001). By means of first-principles calculations we reproduce and explain recently measured reflectance-anisotropy data. The detailed analysis of the optical signal shows that intramolecular pi-pi* transitions as well as adsorption-modified Si bulk states contribute to the surface spectrum. The calculations illustrate the sensitivity of optical spectroscopy to molecular adsorption, but demonstrate clearly that a naive interpretation of the spectrum in terms of gas-phase molecular data fails.

    Research areas

  • REFLECTANCE ANISOTROPY, APPROXIMATION, DEPOSITION, ADSORPTION, SILICON

ID: 19585026