Ab initio I-V characteristics of short C-20 chains

C. Roland, B. Larade, Jeremy Philip Taylor, H. Guo

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    Abstract

    We have calculated the I-V characteristics of short chains of C-20 molecular cages between Al and Au leads with an ab initio formalism. The results indicate that a linear chain of such molecules acts primarily as metallic nanowires. The transmission, however, depends sensitively both on the orientation and distance between the individual C-20 molecules. Transport through the molecular chains is accompanied by a significant amount of charge transfer, which remains localized at the electrode/molecular interface.
    Original languageEnglish
    JournalPhysical Review B Condensed Matter
    Volume65
    Issue number4
    Pages (from-to)041401
    ISSN0163-1829
    DOIs
    Publication statusPublished - 2002

    Bibliographical note

    Copyright (2002) American Physical Society

    Keywords

    • SYSTEMS
    • CONDUCTANCE
    • CARBON-ATOM WIRES
    • NANOTUBES
    • NEGATIVE DIFFERENTIAL RESISTANCE

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