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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