Clustering and conductance in breakage of sodium nanowires

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
2011
Major/Subject
Mcode
Degree programme
Language
en
Pages
035402/1-10
Series
Physical Review B, Volume 83, Issue 3
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.
Description
Keywords
nanowire, electric conductance
Other note
Citation
Zugarramurdi, A. & Borisov, A. G. & Zabala, N. & Chulkov, E. V. & Puska, Martti J. 2011. Clustering and conductance in breakage of sodium nanowires. Physical Review B. Volume 83, Issue 3. 035402/1-10. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.83.035402.