NaMgF 3 : A low-pressure analog of MgSiO 3

  title={NaMgF 3 : A low-pressure analog of MgSiO 3},
  author={Koichiro Umemoto and Renata M. Wentzcovitch and Donald J. Weidner and John B. Parise},
[1] Using first principles computations we show that NaMgF3 perovskite undergoes the same series of phase transitions as MgSiO3 perovskite, that is, the postperovskite transition and the dissociation into CsCl-type NaF and cotunnite-type MgF2. These fluorides also undergo the same series of phase transitions as MgO and SiO2, the dissociation products of MgSiO3. Since the phase transformations in NaMgF3 are not accompanied by any soft mode, we compute quasi-harmonic free energies and the… CONTINUE READING
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