Vibrational analysis of ion dynamics in Ag β-alumina by Raman and molecular dynamics simulation

O. Kamishima, Y. Iwai, T. Hattori, K. Kawamura, J. Kawamura

    Research output: Contribution to journalArticlepeer-review

    1 Citation (Scopus)

    Abstract

    The Raman spectra of single crystal Ag β-alumina have been measured at room temperature. The interatomic potential was evaluated by a non-linear least square fitting between phonon eigenvalues from Raman and dynamical matrix calculation. Using the obtained pair-potentials, the MD simulation was performed. In order to understand the many-body effects for the fast ion conduction in super ionic conductor, the three kinds of Ag-Ag interaction energies were assumed. The potential barrier height for jump diffusion depends on the magnitude of the repulsive force between mobile ions. It gives a new insight into an ion dynamics of super ionic conductor.

    Original languageEnglish
    Pages (from-to)33-36
    Number of pages4
    Journaljournal of the physical society of japan
    Volume79
    Issue numberSUPPL. A
    DOIs
    Publication statusPublished - 2010

    Keywords

    • MD simulation
    • Many-body effects
    • Raman
    • β-Alumina

    ASJC Scopus subject areas

    • Physics and Astronomy(all)

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