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 language | English |
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Pages (from-to) | 33-36 |
Number of pages | 4 |
Journal | journal of the physical society of japan |
Volume | 79 |
Issue number | SUPPL. A |
DOIs | |
Publication status | Published - 2010 |
Keywords
- MD simulation
- Many-body effects
- Raman
- β-Alumina
ASJC Scopus subject areas
- Physics and Astronomy(all)