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Detailed Reference Information |
Zhou, L.X., Hardy, J.R. and Cao, H.Z. (1997). Molecular dynamics simulation of superionicity in Neighborite, NaMgF3. Geophysical Research Letters 24: doi: 10.1029/97GL00618. issn: 0094-8276. |
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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 Mg2+ 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.¿ 1997 American Geophysical Union |
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Abstract |
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Keywords
Mineral Physics, Equations of state |
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Publisher
American Geophysical Union 2000 Florida Avenue N.W. Washington, D.C. 20009-1277 USA 1-202-462-6900 1-202-328-0566 service@agu.org |
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