揭示四方相（BiK）TiO -（BiNa）TiO单晶中的铁电极化
Uncovering ferroelectric polarization in tetragonal (BiK)TiO-(BiNa)TiO single crystals.
作者信息
Kitanaka Yuuki, Noguchi Yuji, Miyayama Masaru
机构信息
Department of Applied Chemistry, School of Engineering, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo, 113-8656, Japan.
出版信息
Sci Rep. 2019 Dec 17;9(1):19275. doi: 10.1038/s41598-019-55576-y.
We report the robust ferroelectric properties of (1 - x)(BiNa)TiO-x(BiK)TiO (x = 33%) single crystals grown by a top-seeded solution growth process under a high oxygen-pressure (0.9 MPa) atmosphere. The sample exhibit a large remanent polarization of 48 μC/cm and a sizeable piezoelectric strain constant of 460 pm/V. Neutron powder diffraction structural analysis combined with first-principles calculations reveals that the large ferroelectric polarization comparable to PbTiO stems from the hybridization between Bi-6p and O-2p orbitals at a moderately negative chemical pressure.
我们报道了通过顶部籽晶溶液生长法在高氧压（0.9MPa）气氛下生长的（1 - x）（BiNa）TiO₃ - x（BiK）TiO₃（x = 33%）单晶的稳健铁电性能。该样品表现出48 μC/cm²的大剩余极化强度和460 pm/V的可观压电应变常数。中子粉末衍射结构分析与第一性原理计算相结合表明，与PbTiO₃相当的大铁电极化源于在适度负化学压力下Bi - 6p和O - 2p轨道之间的杂化。
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