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Phys. Rev. B 73, 245429 (2006) [6 pages]

Electronic structure of an ordered Pb/Ag(111) surface alloy: Theory and experiment

D. Pacilé,1,2 C. R. Ast,1,3 M. Papagno,1,2 C. Da Silva,1,4 L. Moreschini,1 M. Falub,1 Ari P. Seitsonen,5 and M. Grioni1
1Institut de Physique des Nanostructures, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne, Switzerland
2Istituto Nazionale di Fisica Nucleare (INFN) and Dipartimento di Fisica, Universitá della Calabria, 87036 Arcavacata di Rende, Cosenza, Italy
3Max-Planck-Institut für Festkörperforschung, 70569 Stuttgart, Germany
4Laboratoire de Cristallographie, CNRS, Boîte Postale 166, 38042 Grenoble Cedex 09, France
5Physikalisch Chemisches Institut der Universität Zürich, Winterthurerstrasse 190, CH-8057 Zürich and CNRS et IMPMC, Université Pierre et Marie Curie, 4 place Jussieu, case 115, F-75252 Paris, France

Received 25 January 2006; revised 28 April 2006; published 23 June 2006

We have studied by angle-resolved photoelectron spectroscopy (ARPES) the band structure of the ordered surface alloy obtained by the deposition of 0.33 monolayers of Pb on the Ag(111) surface. We observe several dispersing features which are well described as Pb-Ag hybrid bands by a band structure calculation performed within the generalized gradient approximation of density functional theory. We also find that a band of mixed Pb pz and Ag s character is split in momentum space. We interpret this splitting as the combined result of spin-orbit interaction and broken inversion symmetry at the surface.

©2006 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevB.73.245429
DOI: 10.1103/PhysRevB.73.245429
PACS: 73.20.At; 71.70.Ej; 79.60.Dp; 71.15.Mb
  • 73.20.At
    Surface states, band structure, electron density of states
  • 71.70.Ej
    Spin–orbit coupling, Zeeman and Stark splitting, Jahn–Teller effect (condensed matter)
  • 79.60.Dp
    Photoelectron spectra of adsorbed layers and thin films
  • 71.15.Mb
    Density functional theory, local density approximation, gradient and other corrections (condensed matter electronic structure)
  • YEAR: 2006
KEYWORDS: lead, silver, surface alloying, photoelectron spectra, band structure, density functional theory, spin-orbit interactions

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