Monte Carlo Study of the Soft-Core Model for α-AgI
- 15 March 1980
- journal article
- Published by Physical Society of Japan in Journal of the Physics Society Japan
- Vol. 48 (3) , 766-772
- https://doi.org/10.1143/jpsj.48.766
Abstract
A simple version for superionic conductors, of the soft-core model for simple liquids is proposed. That is, the model potential is composed of only the soft-core and the Coulomb potentials. Monte Carlo simulations for α-AgI are made with a fine-grained lattice for a 108-ion system at several temperatures. Sublattice disordering of cations is observed for an appropriate temperature range. At lower temperature the bcc lattice of anions becomes unstable and changes to an fcc-like structure, and at the same time cations show almost localized motions. These results are consistent with the experiments for AgI. The characteristics of the resulting structural properties for cations are also found to be consistent with the recent experimental results.Keywords
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