Electron transport through monovalent atomic wires

Y. J. Lee, M. Brandbyge, Martti Puska, J. Taylor, K. Stokbro, Risto Nieminen

Research output: Contribution to journalArticleScientificpeer-review

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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.
Original languageEnglish
Article number125409
Pages (from-to)1-5
Number of pages5
JournalPhysical Review B
Issue number12
Publication statusPublished - 19 Mar 2004
MoE publication typeA1 Journal article-refereed


  • DFT
  • electron transport


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