NaMgF 3 : A low-pressure analog of MgSiO 3

@inproceedings{Umemoto2006NaMgF3,
  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},
  year={2006}
}
[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
6 Citations
18 References
Similar Papers

References

Publications referenced by this paper.
Showing 1-10 of 18 references

X-ray diffraction and theoretical studies of the high-pressure structures and phase transitions in magnesium fluoride

  • J. Haines, J. M. Leger, F. Gorelli, D. D. Klug, J. S. Tse, Z. Q. Li
  • Phys. Rev. B,
  • 2001
Highly Influential
5 Excerpts

Thermodynamics of Crystals

  • D. Wallace
  • 1972
Highly Influential
4 Excerpts

Octahedral tilting evolution and phase transition

  • Liu, H.-Z, +5 authors H.-K. Mao
  • 2005
3 Excerpts

Theoretical and experimental evidence for a postperovskite phase of MgSiO 3 in Earth ’ s D 00 layer

  • R. M. Wentzcovitch, D. Weidner
  • Nature
  • 2004

Phonons and related crystal properties from densityfunctional perturbation theory

  • P. Giannozzi
  • Rev . Mod . Phys .
  • 2001

Polymorphic phase transitions in mixed alkali magnesium fluoride solid solutions

  • K. Umemoto, R. M. Wentzcovitch
  • Mater . Res . Bull .
  • 2000

Similar Papers

Loading similar papers…