Universal geometric frustration in pyrochlores

B. A. Trump, S. M. Koohpayeh, K. J. T. Livi, J.-J. Wen, K. E. Arpino, Q. M. Ramasse, R. Brydson, M. Feygenson, H. Takeda, M. Takigawa, K. Kimura, S. Nakatsuji, C. L. Broholm and T. M. McQueen ()
Additional contact information
B. A. Trump: National Institute of Standards and Technology
S. M. Koohpayeh: Johns Hopkins University
K. J. T. Livi: Johns Hopkins University
J.-J. Wen: Johns Hopkins University
K. E. Arpino: Johns Hopkins University
Q. M. Ramasse: STFC Daresbury Campus
R. Brydson: University of Leeds
M. Feygenson: Forschungszentrum Jülich GmbH
H. Takeda: University of Tokyo
M. Takigawa: University of Tokyo
K. Kimura: Osaka University
S. Nakatsuji: University of Tokyo
C. L. Broholm: Johns Hopkins University
T. M. McQueen: Johns Hopkins University

Nature Communications, 2018, vol. 9, issue 1, 1-10

Abstract: Abstract Materials with the pyrochlore/fluorite structure have diverse technological applications, from magnetism to nuclear waste disposal. Here we report the observation of structural instability present in the pyrochlores A2Zr2O6Oʹ (A = Pr, La) and Yb2Ti2O6Oʹ, that exists despite ideal stoichiometry, ideal cation-ordering, the absence of lone pair effects, and a lack of magnetic order. Though these materials appear to have good long-range order, local structure probes find displacements, of the order of 0.01 nm, within the pyrochlore framework. The pattern of displacements of the A2Oʹ sublattice mimics the entropically-driven fluxional motions characteristic of and well-known in the silica mineral β-cristobalite. The universality of such displacements within the pyrochlore structure adds to the known structural diversity and explains the extreme sensitivity to composition found in quantum spin ices and the lack of ferroelectric behavior in pyrochlores.

Date: 2018
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DOI: 10.1038/s41467-018-05033-7

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