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Universal Geometric Frustration in Pyrochlores



Benjamin A Trump, Syed M. Koohpayeh, Ken J. T. Livi, JiaJia Wen, Kathyrn Arpino, Quentin M. Ramasse, Rik Brydson, Mikhail Feygenson, H. Takeda, M. Takigawa, K. Kimura, S. Nakatsuji, Collin L. Broholm, T. M. McQueen


We report on the structural details of Pr2Zr2O6O', La2Zr2O6O', and Yb2Ti2O6O' in the A2B2O6O' pyrochlore structure. X-ray and neutron powder diffraction indicate these materials are long-range ordered. On the local scale these materials appear to be disordered despite ideal stoichiometry, ideal cation-ordering, no lone pair-effects, and lack of magnetism (in La2Zr2O7); as evidenced by pair-distribution analysis and selected area electron diffraction at room temperature. High-resolution scanning transmission electron microscopy and 91Zr NQR indicate that this disorder is static and of order 0.1 Å. The magnitude and pattern for displacements is consistent with a β-cristobalite distortion, due to either an electronic (Jahn-Teller) effect or the size mismatch between A and B cations. The evidence for these distortions has significant implications for materials which crystallize in the pyrochlore structure.
Nature Communications


Pyrochlore, geometric frustration, spin-liquid behavior, β-cristobalite, pair-distribution function, scanning transmission electron microscopy


, B. , , S. , T., K. , Wen, J. , Arpino, K. , , Q. , Brydson, R. , Feygenson, M. , Takeda, H. , Takigawa, M. , Kimura, K. , Nakatsuji, S. , , C. and , T. (2018), Universal Geometric Frustration in Pyrochlores, Nature Communications, [online], (Accessed July 14, 2024)


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Created July 5, 2018, Updated August 29, 2018