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Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation

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  • P. H. Hahn

    (Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany)

  • W. G. Schmidt

    (Institut für Festkörpertheorie und Theoretische Optik, Friedrich-Schiller-Universität, Max-Wien-Platz 1, 07743 Jena, Germany)

Abstract

The influence of hydrogen on the reconstruction of InP(001) surfaces is studied byfirst-principlescalculations. One-monolayer phosphorus forming oppositely buckled dimers with one hydrogen adsorbed per dimer is energetically favored for a wide range of surface preparation conditions. The electronic structure and STM image calculated for this adsorbate geometry agree well with the experimental findings obtained after annealing of MOVPE-grown InP samples. The Si(001)-like surface ordering as well as the surface band gap of more than 1 eV, supposedly arising from electron correlation effects [Liet al.,Phys. Rev. Lett.82, 1879 (1999)], are naturally explained by the hydrogen-stabilized surface structure favored by the total-energy calculations.

Suggested Citation

  • P. H. Hahn & W. G. Schmidt, 2003. "Surface Ordering of P-rich InP(001): Hydrogen Stabilization vs Electron Correlation," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 10(02n03), pages 163-167.
    • Handle: RePEc:wsi:srlxxx:v:10:y:2003:i:02n03:n:s0218625x03004913
    DOI: 10.1142/S0218625X03004913
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