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arXiv · 1208.2304

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 ions, 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, 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 smaller rare earth ions. We analyze the appearance of the uniform shear distortion below the Jahn-Teller ordering temperature, estimate the Jahn-Teller ordering temperature and its variation between NdMnO3 and LaMnO3, and obtain the relations between distortions. We find good agreement between theoretical results and experimental data.

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T. F. Seman, K. H. Ahn, T. Lookman, A. Saxena, A. R. Bishop, P. B. Littlewood. 2012-08-11. Effects of rare earth ion size on the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites. https://doi.org/10.1103/physrevb.86.184106

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