Electronic transport through single noble gas atoms

L. A. Zotti, M. Bürkle, Y. J. Dappe, F. Pauly, and J. C. Cuevas
Phys. Rev. B 84, 193404 – Published 10 November 2011
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Abstract

We present a theoretical study of the conductance of atomic junctions comprising single noble gas atoms (He, Ne, Ar, Kr, and Xe) coupled to gold electrodes. The aim is to elucidate how the presence of noble gas atoms affects the electronic transport through metallic atomic-size contacts. Our analysis, based on density functional theory and including van der Waals interactions, shows that for the lightest elements (He and Ne) no significant current flows through the noble gas atoms and their effect is to reduce the conductance of the junctions by screening the interaction between the gold electrodes. This explains the observations reported in metallic atomic-size contacts with adsorbed He atoms. Conversely, the heaviest atoms (Kr and Xe) increase the conductance because of the additional current path provided by their valence p states.

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  • Received 28 September 2011

DOI:https://doi.org/10.1103/PhysRevB.84.193404

©2011 American Physical Society

Authors & Affiliations

L. A. Zotti1, M. Bürkle2, Y. J. Dappe3, F. Pauly2, and J. C. Cuevas1

  • 1Departamento de Física Teórica de la Materia Condensada, Universidad Autónoma de Madrid, E-28049 Madrid, Spain
  • 2Institut für Theoretische Festkörperphysik and DFG Center for Functional Nanostructures, Karlsruhe Institute of Technology (KIT), D-76131 Karlsruhe, Germany
  • 3Institut de Physique et Chimie des Matériaux de Strasbourg (IPCMS), UMR CNRS 7504, 23 rue du Loess, POB 43, F-67034 Strasbourg Cedex, France

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Issue

Vol. 84, Iss. 19 — 15 November 2011

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