Hole dynamics in a quantum-well state at Na/Cu(111)

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Phys. Rev. B 68 195422 (2003).

E. V. Chulkov

Donostia International Physics Center (DIPC), Paseo de Manuel Lardizabal, 4, 20018 San Sebastián/Donostia, Basque Country, Spain
and
Departamento de Física de Materiales and Centro Mixto CSIC-UPV/EHU, Facultad de Ciencias Químicas, UPV/EHU, Apartado Postal 1072, 20080 San Sebastián/Donostia, Basque Country, Spain

J. Kliewer and R. Berndt

Institut für Experimentelle und Angewandte Physik, Christian-Albrechts-Universität zu Kiel, D-24098 Kiel, Germany

V. M. Silkin

Donostia International Physics Center (DIPC), Paseo de Manuel Lardizabal, 4, 20018 San Sebastián/Donostia, Basque Country, Spain

B. Hellsing

Experimental Physics, Chalmers University of Technology and Göteborg University, S-412 96 Göteborg, Sweden

S Crampin

Department of Physics, University of Bath, Bath BA2 7AY, United Kingdom

P.M. Echenique

Abstract
Theoretical calculations and scanning-tunneling spectroscopy measurements of the hole lifetime broadening, τ^-1, in a quantum-well state for 0.95 and 1.0 monolayers of Na on Cu(111) are reported. A model potential is proposed for calculating quantum-well states in a monolayer on metal surfaces. The inelastic electron-electron contribution, (τ_e-e)^-1, is evaluated within the GW approximation by using eigenfunctions and eigenenergies obtained with this model potential. The electron-phonon contribution, (τ_e-ph)^-1 is computed by employing Debye and Einstein models as well as a first-principle ultrasoft pseudopotential method. The obtained theoretical results are in excellent agreement with experimental data, both showing a surprisingly large difference in the lifetime broadening for 0.95 and 1.0 monolayers which is attributed mostly to changes in the electronic structure.