Lattice dynamics of manganites RMnO3 (R =Sm, Eu or Gd): instabilities and coexistence of orthorhombic and hexagonal phases

Details Lattice dynamics of manganites RMnO3 (R =Sm, Eu or Gd): instabilities and coexistence of orthorhombic and hexagonal phases Lattice dynamics of manganites RMnO3 (R =Sm, Eu or Gd): instabilities and coexistence of orthorhombic and hexagonal phases

Jul 2009

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2009njph...11g3041c&link_type=abstract

New Journal of Physics, Volume 11, Issue 7, pp. 073041 (2009).

Physics

5

Scientific paper

The lattice dynamical and allied properties of the multiferroic manganites SmMnO3, EuMnO3 and GdMnO3 were investigated in this work by means of a shell model with transferable pairwise interionic interaction potential. This shell-model potential is able to reproduce the available crystal structure and phonon frequencies. A zone center imaginary Au mode is observed in these lattice dynamics calculations that indicates metastability of the perovskite phase. Comparison of the Gibbs free energies in the orthorhombic and hexagonal phases points to the possible coexistence of the two phases of these manganites under ambient conditions.

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