Effects of rare-earth ion size on the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites

T. F. Seman, K. H. Ahn, T. Lookman, A. Saxena, A. R. Bishop, P. B. Littlewood

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Abstract

We present a theoretical study on the relation between the size of the rare earth ion, often known as chemical pressure, and the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites. Using a Keating model expressed in terms of atomic scale symmetry modes for a simplified two-dimensional model, we show that there exists a coupling between the uniform shear distortion and the staggered buckling distortion within the Jahn-Teller energy term. It is found that this coupling provides a mechanism by which the coherent Jahn-Teller distortion is more stabilized by a smaller rare earth ion. We analyze the appearance of the uniform shear distortion below the Jahn-Teller ordering temperature, estimate the Jahn-Teller ordering temperature and its variation among LaMnO 3, PrMnO 3, and NdMnO 3, and obtain the relations between distortions. We find good agreement between theoretical results and experimental data.

Original languageEnglish (US)
Article number184106
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume86
Issue number18
DOIs
StatePublished - Nov 12 2012

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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