Inversion symmetry breaking by oxygen octahedral rotations in the ruddlesden-popper NaRTiO4 family

Hirofumi Akamatsu, Koji Fujita, Toshihiro Kuge, Arnab Sen Gupta, Atsushi Togo, Shiming Lei, Fei Xue, Greg Stone, James M. Rondinelli, Long Qing Chen, Isao Tanaka, Venkatraman Gopalan, Katsuhisa Tanaka

Research output: Contribution to journalArticlepeer-review

33 Citations (Scopus)

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 NaRTiO4 (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 P4̄21m, 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.

Original languageEnglish
Article number187602
JournalPhysical review letters
Volume112
Issue number18
DOIs
Publication statusPublished - May 7 2014

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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