Theoretical study of electron confinement in Cu corrals on a Cu(111) surface
Artikel i vetenskaplig tidskrift, 2008

We present a theoretical study of the energies, lifetimes, wave functions, and decay paths of the excited electronic states in corral structures formed by Cu adatoms on the Cu(111) surface. Three different corrals with 35, 48, and 70 Cu adatoms have been studied within a joint approach including the density functional theory and wave packet propagation. Confinement of the electronic surface state inside the corral structure leads to the formation of well-defined resonances in the density of electronic states. Particular emphasis is given in the present work to the role of excited electronic states localized on the ring of Cu adatoms forming the corral. While never discussed in the past for corral structures, these states are equivalent to the one-dimensional sp band of Cu atomic chains assembled on the Cu(111) surface that has been recently studied thoroughly. The coupling between the confined surface state resonances and the sp state localized on the Cu ring have been studied in detail. It is shown that the sp state localized on the corral wall appears as a strong perturbation in the spectrum of confined states. © 2008 The American Physical Society.

Författare

Sergio Díaz-Tendero

Centre national de la recherche scientifique (CNRS)

Université Paris-Sud

Fredrik Olsson

Chalmers, Teknisk fysik

A. G. Borisov

Université Paris-Sud

Centre national de la recherche scientifique (CNRS)

J. P. Gauyacq

Université Paris-Sud

Centre national de la recherche scientifique (CNRS)

Physical Review B - Condensed Matter and Materials Physics

1098-0121 (ISSN)

Vol. 77 20 205403

Ämneskategorier

Atom- och molekylfysik och optik

Teoretisk kemi

Den kondenserade materiens fysik

DOI

10.1103/PhysRevB.77.205403

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Senast uppdaterat

2020-03-10