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Figure 3
Energy versus polar mode [[\Gamma _{4}^{-}] OP(0,h,0)] magnitude for AFM [mX3+ mX1- OP(a,0,0[\mid]d,0,0)] and FM ([{\rm m}\Gamma _{4}^{+}]) ordering. The inset illustrates the linear behaviour around the origin. The amplitude of the [\Gamma _{4}^{-}] mode is determined by summing the displacements of all the atoms in the unit cell and presented as a percentage with respect to the ground-state amplitude of the AFM phase. In both AFM and FM phases the energy shown is with respect to the structure with zero magnitude of [\Gamma _{4}^{-}].

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ISSN: 2053-2733
Volume 74| Part 4| July 2018| Pages 308-321
https://doi.org/10.1107/S2053273318007441
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