Monte Carlo Study of the Soft-Core Model for α-AgI

DOI Web Site Web Site BIBCODE 7 Citations 15 References
  • Hiwatari Yasuaki
    Department of Physics, Faculty of Science, Kanazawa University
  • Ueda Akira
    Department of Applied Mathematics and Physics, Faculty of Engineering, Kyoto University

Bibliographic Information

Other Title
  • Monte Carlo Study of the Soft Core Mode

Search this article

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.

Journal

Citations (7)*help

See more

References(15)*help

See more

Keywords

Details 詳細情報について

Report a problem

Back to top