HR: 1340h
AN: MR23A-0188    [Abstracts]
TI: Post-perovskite transition in NaMgF3
AU: Parise, J
EM: jparise@notes.cc.sunysb.edu
AF: Department of Geosciences, State University of New York, Stony Brook, NY 11794-2100 United States
AU: Umemoto, K
EM: umemoto@cems.umn.edu
AF: Department of Chemical Enginering and Materials Science, Minnesota Supercomputer Institute,, University of Minnesota, Minneapolis, MN 55455 United States
AU: * Wentzcovitch, R M
EM: wentzciv@cems.umn.edu
AF: Department of Chemical Enginering and Materials Science, Minnesota Supercomputer Institute,, University of Minnesota, Minneapolis, MN 55455 United States
AU: Weidner, D
EM: dweidner@notes.cc.sunysb.edu
AF: Department of Geosciences, State University of New York, Stony Brook, NY 11794-2100 United States
AB: We have investigated through first principles computations the pressure-induced behavior of NaMgF3. It has the same Pbnm perovskite structure as MgSiO3, the major lower mantle phase and likewise MgSiO3 it displays the same post-perovskite transition. Static LDA calculations indicate this transition should occur shortly after 35 GPa. Phonon dispersions of the post-perovskite structures confirm its mechanical stability. The existence of a post-perovskite transition at low pressures in this material makes possible studies of properties of such phase more easily accessible in a lower pressure range by various sorts of experiments. Research supported by NSF/EAR 0135533 (COMPRES)
DE: 3672 Planetary mineralogy and petrology (5410)
DE: 3909 Elasticity and anelasticity
DE: 3914 Electrical properties
DE: 3924 High-pressure behavior
DE: 3939 Physical thermodynamics
SC: Mineral and Rock Physics [MR]
MN: 2004 AGU Fall Meeting