Clustering and conductance in breakage of sodium nanowires

A. Zugarramurdi, A. G. Borisov, N. Zabala, E. V. Chulkov, and M. J. Puska
Phys. Rev. B 83, 035402 – Published 10 January 2011

Abstract

We study the conductance during the elongation and breakage of Na nanowires described with the ultimate jellium model. A combined approach is used where the nanowire breakage is simulated self-consistently within the density-functional theory, and the wave packet propagation technique is applied for ballistic electron transport. For certain conditions the breakage of the nanowire is preceded by formation of clusters of magic size in the break junction. This affects the conductance G, in particular the shape of the G=3G0 to G=G0 (=2e2/h) step upon elongation. The observed trends can be explained as due to the transient trapping of ballistic electrons inside the cluster, leading to a resonant character of the electron transport through the break junction. The cluster-derived resonances appear as peak structures in the differential conductance which may serve as an experimental signature of clustering.

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  • Received 5 May 2010

DOI:https://doi.org/10.1103/PhysRevB.83.035402

© 2011 American Physical Society

Authors & Affiliations

A. Zugarramurdi1,2, A. G. Borisov3, N. Zabala1,2,4, E. V. Chulkov2,4,5, and M. J. Puska6

  • 1Elektrizitatea eta Elektronika Saila, Zientzia eta Teknologia Fakultatea, UPV/EHU, 644 P.K., 48080 Bilbao, Spain
  • 2Centro de Física de Materiales (CFM)–Materials Physics Center (MPC), Centro Mixto CSIC-UPV/EHU, 20018 San Sebastian/Donostia, Spain
  • 3CNRS, Institut des Sciences Moléculaires d’Orsay, ISMO, UMR 8214 CNRS-Université Paris-Sud, Bâtiment 351, Université Paris-Sud, 91405 Orsay CEDEX, France
  • 4Donostia International Physics Center (DIPC), P. de Manuel Lardizabal 4, 20018 San Sebastián/Donostia, Spain
  • 5Departamento de Física de Materiales, Facultad de Ciencias Químicas, Universidad del País Vasco UPV/EHU, Apartado 1072, 20080 San Sebastián/Donostia, Spain
  • 6Department of Applied Physics, Aalto University, P. O. Box 11100, FIN-00076 AALTO, Finland

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Issue

Vol. 83, Iss. 3 — 1 January 2011

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