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Sen Gupta, Arnab
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article
Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO<sub>4</sub> Family
Abstract
Rotations of oxygen octahedra are ubiquitous, but they cannot break inversion symmetry in simple perovskites. However, in a layered oxide structure, this is possible, as we demonstrate here in A-site ordered Ruddlesden-Popper NaRTiO<sub>4</sub> (R denotes rare-earth metal), previously believed to be centric. By revisiting this series via synchrotron x-ray diffraction, optical second-harmonic generation, piezoresponse force microscopy, and first-principles phonon calculations, we find that the low-temperature phase belongs to the acentric space group P4̄2<sub>1</sub>m, which is piezoelectric and nonpolar. The mechanism underlying this large new family of acentric layered oxides is prevalent, and could lead to many more families of acentric oxides.