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The equation of state of perovskite-structure CsCaF 3 has been calculated using Gordon-Kim pair potentials in the quasi-harmonic approximation. Agreement with experimental results is reasonably good for phonon frequencies and equation-of-state properties. Recently, similar calculations for RbCaF 3 were found to be consistent with an observed displacive phase transition in this material. Significantly, the same theory predicts the absence of any displacive transition in CsCaF 3 , in agreement with experiment.
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Larry L. Boyer (1984) studied this question.
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