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Phys. Rev. B 69, 125409 (2004) [5 pages]

Electron transport through monovalent atomic wires

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Y. J. Lee1, M. Brandbyge2, M. J. Puska1, J. Taylor2, K. Stokbro2, and R. M. Nieminen1
1COMP/Laboratory of Physics, Helsinki University of Technology, P.O. Box 1100, FIN-02015 HUT Helsinki, Finland
2Mikroelecktronik Centret (MIC), Technical University of Denmark, Bldg 345E, DK-2800 Lyngby, Denmark

Received 4 September 2003; revised 13 November 2003; published 19 March 2004

Using a first-principles density-functional method we model electron transport through linear chains of monovalent atoms between two bulk electrodes. For noble-metal chains the transport resembles that for free electrons over a potential barrier whereas for alkali-metal chains resonance states at the chain determine the conductance. As a result, the conductance for noble-metal chains is close to one quantum of conductance, and it oscillates moderately so that an even number of chain atoms yields a higher value than an odd number. The conductance oscillations are large for alkali-metal chains and their phase is opposite to that of noble-metal chains.

© 2004 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.69.125409
DOI:
10.1103/PhysRevB.69.125409
PACS:
73.63.Rt, 73.23.Ad