First principles calculations on electron conduction paths in solid electrolytes: Toward an understanding of the working mechanism of atomic switches

S. Watanabe, T. K. Gu, Z. C. Wang, T. Tada

    Research output: Contribution to journalArticlepeer-review

    Abstract

    As a first step to clarify the microscopic working mechanism of atomic switches using solid electrolytes, we have examined electronic states and electron transport properties of Ag-Ag 2S-Ag and Cu-Ta 2O 5-Pt systems using standard density functional theory and novel non-equilibrium Green's function method. In both the systems, we found that the bridge structures consisting of excess Ag or Cu in the middle solid electrolyte layer work as electronic conduction paths. In Cu-Ta 2O 5-Pt, we also found that O vacancy is much less effective for the enhancement of electronic conduction than excess Cu.

    Original languageEnglish
    Pages (from-to)577-582
    Number of pages6
    JournalNippon Kinzoku Gakkaishi/Journal of the Japan Institute of Metals
    Volume73
    Issue number8
    DOIs
    Publication statusPublished - 2009 Aug

    Keywords

    • Atomic switch
    • Density functional theory
    • Electron conduction
    • Non-equilibrium Green's function
    • Solid electrolyte

    ASJC Scopus subject areas

    • Mechanics of Materials
    • Materials Chemistry
    • Metals and Alloys
    • Condensed Matter Physics

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