IUVSTA 15th International Vacuum Congress (IVC-15), AVS 48th International Symposium (AVS-48), 11th International Conference on Solid Surfaces (ICSS-11)
    Surface Science Monday Sessions
       Session SS1-MoA

Paper SS1-MoA2
An Accurate Paremetrization for the Extended Hückel Theory (EHT): Application to the Electronic Structure and STM Imaging of the Cu(110)+c(2x2)-Si Surface Alloy

Monday, October 29, 2001, 2:20 pm, Room 120

Session: Innovations in Surface Science
Presenter: J.I. Cerdá, Instituto de Ciencia de Materiales de Madrid, CSIC, Spain
Authors: J.I. Cerdá, Instituto de Ciencia de Materiales de Madrid, CSIC, Spain
C. Rojas, Instituto de Ciencia de Materiales de Madrid, CSIC, Spain
C. Polop, Instituto de Ciencia de Materiales de Madrid, CSIC, Spain
J.A. Martin-Gago, Instituto de Ciencia de Materiales de Madrid, CSIC, Spain
R. Fasel, Universite de Fribourg, Switzerland
J. Hayoz, Universite de Fribourg, Switzerland
D. Naumovic, Universite de Fribourg, Switzerland
P. Aebi, Universite de Fribourg, Switzerland
Correspondent: Click to Email
The electronic structure of the Cu(110)+c(2x2)-Si surface alloy has been studied both experimentally and theoretically. On the experimental part, we have mainly employed Angle Resolved Ultraviolet Photoemission Spectroscopy (ARUPS) together with atom resolved images acquired with a Scanning Tunneling Microscope (STM). On the theoretical part, we have made use of a recently developed Extended Hückel Theory (EHT) parametrization scheme@footnote 1@ in order to describe the Atomic Orbital (AO) interactions, while the Cu(110)+c(2x2)-Si system has been modelled by a surface-alloy layer stacked on top of a semi-infinite Cu(110) bulk. The corresponding electronic structure and associated STM images (for different tips) have been calculated via Green's functions techniques. Despite the simplicity of the EHT approach, we find a very good agreement with the surface specific electronic features experimentally observed: Fermi surface, Surface State Bands, Atomic corrugation in the STM images, etc. This fact evidences the good transferability of the EHT parameters between different chemical and geometrical environments. @FootnoteText@ @footnote 1@J. Cerdá and F. Soria, Phys. Rev. B, Vol. 61 (2000) 7971.