Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn–Teller transitions in ABX3 perovskites. I. Theory

Carpenter, M.A.; Howard, C.J.

doi:10.1107/S0108768109000974

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 7
Symmetry hierarchy for `pure' (i.e. without octahedral tilting) Jahn–Teller ordering transitions associated with combinations of irreps M₂⁺ and $[{R}_3^ +]$ in an ABX₃ perovskite. Solid lines indicate group–subgroup relationships for which transitions are allowed to be second order. Dashed lines indicate group–subgroup relationships for which transitions must be first order. Non-zero order-parameter components for each of the possible space groups are given in brackets.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 65| Part 2| March 2009| Pages 134-146

doi:10.1107/S0108768109000974

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