Noncentrosymmetric Structure of LuFeO3 in Metastable State
Noncentrosymmetric Structure of LuFeO3 in Metastable State
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DOI：
10.1143/jjap.49.09me06
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发表时间：
2010-09
影响因子：
1.5
通讯作者：
E. Magome;C. Moriyoshi;Y. Kuroiwa;A. Masuno;H. Inoue
中科院分区：
文献类型：
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作者：
E. Magome;C. Moriyoshi;Y. Kuroiwa;A. Masuno;H. Inoue
采用最大熵方法（MEM）/Rietveld方法对高能同步辐射粉末衍射数据进行分析，发现无容器法合成的亚稳LuFeO 3晶体结构为非中心对称结构（空间群P63 cm）。这种结构特征表现为FeO_5三角双锥偏离c轴的畸变和倾斜，这是由于多面体中O原子与相邻Lu原子之间的原子轨道杂化所引起的。从极性结构预期的自发极化估计约为5 µC/cm 2。
The crystal structure of metastable LuFeO3 synthesized by containerless processing has been revealed to be a non-centrosymmetric structure (space group P63cm) by analyzing the high-energy synchrotron-radiation powder-diffraction data using the maximum entropy method (MEM)/Rietveld method. The structural characteristics are found in the FeO5 trigonal bipyramid distorted and tilted from the c-axis, which is cause by the hybridization of atomic orbitals between the O atom constituent of the polyhedron and the neighboring Lu atom. The spontaneous polarization expected from the polar structure is estimated at about 5 µC/cm2.