Department of Physics and Astronomy: Publications and Other Research
Document Type
Article
Date of this Version
1997
Citation
GEOPHYSICAL RESEARCH LETTERS, VOL. 24, NO. 7, PAGES 747-750, APRIL 1, 1997
Abstract
Superionicity in neighborite, NaMgF3, has been studied by molecular dynamics using parameter free Gordon-Kim potentials. These simulations show that this halide-based perovskite has a superionic phase. The onset temperature for superionicity is ~50-100 K below the melting point. This is a novel type of superionicity in a halide, occurring as it does in a perovskite rather than a fluorite. Superionicity is demonstrated to occur whether one uses the full ionicity for Mg 2+ and F- or employs reduced charges derived from a Quantum Chemistry calculation. The relevance of these findings to predictions of superionicity in the oxide perovskite MgSiO3 [Matsui and Price, 1991] is discussed
Comments
Copyright 1997 by the American Geophysical Union.