Complex ordering in Y1/3TaO3, a new polar A-site deficient perovskite
The most ubiquitous distortion in ABO3 perovskite oxides and related compounds is rotation or tilting of BO6 octahedra. The oxygen octahedral rotations(OORs) do not break the inversion symmetry in simple perovskites because of the intrinsic nature of octahedral connectivity. However, OORs can break inversion symmetry in layered perovskites such as Ruddlesden-Popper(RP) phases. Recently, our group reported OOR-induced noncentrosymmetry in n = 1 RP NaRTiO4 (R:rare earth), where the inversion symmetry is broken by the combination of OORs and A-site layered ordering. We now extend our understanding of OORs to A-site deficient perovskites, R1/3TaO3, that exhibit a layered ordering of the R cations and vacancies. Although the crystal structure was previously reported for R=La-Tm, no reliable crystallographic data are available for R=Y. Here, we will reveal the relation between OOR and ferroelectricity in Y1/3TaO3 using neutron powder diffraction. Our goal is to resolve the ambiguity of the OOR patterns in the room-temperature polar and high-temperature "incommensurate" nonpolar phases. This approach will allow a better understanding of phase transition of a new ferroelectric material.
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Koji Fujita; HERNANDEZ Olivier; MIYAKE Jinsuke; PAOFAI SERGE; Carmelo Prestipino; RITTER Clemens and YOSHIDA Suguru. (2018). Complex ordering in Y1/3TaO3, a new polar A-site deficient perovskite. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-23-714
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