Crystal structure of the inversion-breaking metal Cd2Re2O7

Abstract

Second harmonic generation (SHG) on the pyrochlore metal Cd2Re2O7 indicates the presence of three order parameters setting in below an inversion breaking transition. Here, we explore a possible structural explanation and relate it not only to the SHG data, but also to neutron and x-ray diffraction, where we find that such a structural scenario can explain certain reflection extinctions observed in single crystal x-ray data. From this analysis, we suggest future experiments that could be done to resolve this matter. Finally, we comment on the Landau-violating nature of the inversion breaking transition and its relation to similar phenomena observed in improper ferroelectrics.

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• Harnessing Interpretable and Unsupervised Machine Learning to Address Big Data from Modern X-ray Diffraction
• Low-Temperature Phase of the Cd${}_2$Re${}_2$O${}_7$ Superconductor: Ab initio Phonon Calculations and Raman Scattering
• Diffuse Scattering from Correlated Electron Systems
• Successive phase transitions of the spin-orbit-coupled metal Cd2Re2O7 probed by high-resolution synchrotron x-ray diffraction
• Metal-insulator transitions in pyrochlore oxides
• Domain Control by Adjusting Anisotropic Stress in Pyrochlore Oxide Cd2Re2O7
• Competition between $d$-wave and $d$+$is$-wave superconductivity in the Hubbard model on a checkerboard lattice
• The Symmetry Principle in Condensed Matter Physics (I)