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Phonon Dispersion: BaTiO3

Name Structure and Brillouin Zone Phonon-Bands Dispersion Description
Pm3m
(Cubic)
Pm-3m
Brillouin Zone
  1. BaTiO3 in cubic symmetry has several instabilities
  2. FerroElectric (FE) instability at Γ (0,0,0) reciprocal point
  3. AntiFerroElectric (AFE) instability at X (0.5,0,0)
  4. AntiFerroDistortive (AFD) instabilities at M (0.5,0.5,0)
    and R (0.5,0.5,0.5)
  5. Freezing in the eigenvector at Γ (0,0,0), reduces
    the symmetry to Tetragonal (P4mm)

 

P4/mmm
(Tetragonal)
Brillouin Zone
P4/mmm
(Tetragonal)
(ε=-2.16%)
Brillouin Zone