Spin vs Charge Asymmetry in the Dimers of the Si(100)-2×1 Surface

  • E. Artacho
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 62)

Abstract

Spin polarization in the dimers is proposed instead of charge and geometric asymmetry for the Si(100)-2×1 surface. Current symmetric and asymmetric dimer models are considered. Core level shift and total energy calculations support this proposal. An energy gain of about 0.5 eV per surface atom is obtained by including spin correlations in the calculations. Electronic charge and spin densities, surface states bands and spin-spin correlations are presented. All these strongly suggest that the dimers buckling is much smaller than predicted by previous spin independent calculations.

Keywords

Arsenic 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1992

Authors and Affiliations

  • E. Artacho
    • 1
  1. 1.Departamento de Física de la Materia Condensada, C-IIIUniversidad Autónoma de MadridMadridSpain

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