Normal mode determination of perovskite crystal structures with octahedral rotations: theory and applications

  title={Normal mode determination of perovskite crystal structures with octahedral rotations: theory and applications},
  author={Mohammad Ashraful Islam and James M. Rondinelli and Jonathan E. Spanier},
  journal={Journal of Physics: Condensed Matter},
Nuclear site analysis methods are used to enumerate the normal modes of ABX3 perovskite polymorphs with octahedral rotations. We provide the modes of the 14 subgroups of the cubic aristotype describing the Glazer octahedral tilt patterns, which are obtained from rotations of the BX6 octahedra with different sense and amplitude about high-symmetry axes. We tabulate all normal modes of each tilt system and specify the contribution of each atomic species to the mode displacement pattern… 

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