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首页> 外文期刊>International Journal of Quantum Chemistry >Structural and magnetic characterisation of Aurivillius material Bi2Sr2Nb2.5Fe0.5O12
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Structural and magnetic characterisation of Aurivillius material Bi2Sr2Nb2.5Fe0.5O12

机译:Aurivillius材料Bi2Sr2Nb2.5Fe0.5O12的结构和磁性表征

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摘要

The n=3 Aurivillius material Bi2Sr2Nb2.5Fe0.5O12 is investigated and combined structural refinements using neutron powder diffraction (NPD) and X-ray powder diffraction data (XRPD) data reveal that the material adopts a disordered, tetragonal (I4/mmm) structure at temperatures down to 2 K. Significant ordering of Fe3+ and Nb5+ over the two B sites is observed and possible driving forces for this ordering are discussed. Some disorder of Sr2+ and Bi3+ over the M and A sites is found and is consistent with relieving strain due to size mismatch. Highly anisotropic thermal parameters for some oxygen sites suggest that the local structure may be slightly distorted with some rotation of the octahedra. Magnetic measurements show that the material behaves as a Curie–Weiss paramagnet in the temperature range studied with no evidence of any long-range magnetic interactions. Solid solutions including Bi3-xSrxNb2FeO12, Bi2Sr2-xLaxNb2FeO12 and Bi2Sr2Nb3-xFexO12 were investigated but single-phase materials were only successfully synthesised for a narrow composition range in the Bi2Sr2Nb3-xFexO12 system.
机译:研究了n = 3 Aurivillius材料Bi2Sr2Nb2.5Fe0.5O12并使用中子粉末衍射(NPD)和X射线粉末衍射数据(XRPD)数据对结构进行了细化,结果表明该材料采用无序四边形(I4 / mmm)结构在低至2 K的温度下。观察到两个B位上Fe3 +和Nb5 +的显着排序,并讨论了此排序的可能驱动力。在M和A位点发现了一些Sr2 +和Bi3 +紊乱,并且与尺寸失配导致的应变缓解相一致。一些氧位点的高度各向异性的热参数表明,八面体的某些旋转可能会局部扭曲局部结构。磁性测量表明,该材料在所研究的温度范围内表现为居里–魏斯顺磁性,没有任何长期磁性相互作用的迹象。研究了包括Bi3-xSrxNb2FeO12,Bi2Sr2-xLaxNb2FeO12和Bi2Sr2Nb3-xFexO12的固溶体,但仅在Bi2Sr2Nb3-xFexO12系统中仅在狭窄的组成范围内成功合成了单相材料。

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