Modeling of inelastic transport in one-dimensional metallic atomic wires

Thomas Frederiksen, Mads Brandbyge, N Lorente, Antti-Pekka Jauho

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    Abstract

    Atomic-size conductors represent the ultimate limit of miniaturization, and understanding their properties is an important problem in the fields of nanoelectronics and molecular electronics. Quantum effects become important which leads to a physical behavior fundamentally different from macroscopic devices. A full description of the transport properties of atomic-size conductors therefore requires a quantum mechanical treatment of both the electronic and mechanical degrees of freedom. In this paper, we study a one-dimensional tight-binding model of the conducting electrons combined with a balls-and-springs model for the mechanical motion of the nuclei comprising the wire. We determine the vibrational modes and frequencies for the wires. The electronic Hamiltonian is expanded to lowest order in these normal modes.
    Original languageEnglish
    Title of host publication10th International Workshop on Computational Electronics, 2004. IWCE-10 2004. Abstracts.
    PublisherIEEE
    Publication date2004
    ISBN (Print)0-7803-8649-3
    DOIs
    Publication statusPublished - 2004
    Event10th International Workshop on Computational Electronics - Purdue University, Wast Lafayette, IN, United States
    Duration: 24 Oct 200427 Oct 2004
    Conference number: 10

    Conference

    Conference10th International Workshop on Computational Electronics
    Number10
    LocationPurdue University
    CountryUnited States
    CityWast Lafayette, IN
    Period24/10/200427/10/2004

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