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Investigation on structure and stability of cerium doped (Ba0.5Sr0.5)(Fe1-xCex)O3-δ (x = 0–1.0) oxides by Rietveld refinement
Solid State Communications ( IF 2.1 ) Pub Date : 2021-04-23 , DOI: 10.1016/j.ssc.2021.114343
Santosh Chauhan , Shivendra Kumar Jaiswal

Perovskite-type materials have been attracted due to their relevant applications in memory devices, tunable microwave displays, oxygen-permeable membranes, sensors, and capacitors. An attempt has been made here to analyze the structure of (Ba0.5Sr0.5)(Fe1-xCex)O3-ẟ (x = 0–1.0) oxides by Rietveld refinement under different space groups. It possesses cubic (space group Pm3m, Z = 1), cubic with orthorhombic, and orthorhombic (space group Pnma, Z = 4) structures for the composition x = 0, 0.10–0.60, and 0.80–1.0, respectively. The amount of cubic phase decreases from 100% to 24% with cerium content (x) = 0–0.60 and complete transformation to the orthorhombic phase occurred at x = 0.80. Moreover, single – dual - single structural phase transitions have been observed. The average bond length decreases with cerium content. The bond angles along O–B–O and B–O–B are deviated significantly due to the tilting and rotation of (Ce,Fe)O6 octahedra. The presence of distortion/oxygen vacancies makes the compound useful in industrial applications.



中文翻译:

Rietveld精炼研究掺杂铈的(Ba 0.5 Sr 0.5)(Fe 1-x Ce x)O3 (x = 0–1.0)氧化物的结构和稳定性

钙钛矿型材料因其在存储设备,可调谐微波显示器,透氧膜,传感器和电容器中的相关应用而受到吸引。此处尝试分析(Ba 0.5 Sr 0.5)(Fe 1-x Ce x)O3 -ẟ的结构在不同的空间群下通过Rietveld精炼获得(x = 0–1.0)氧化物。它具有立方结构(空间组Pm3m,Z = 1),立方结构和正交结构以及正交结构(空间组Pnma,Z = 4),其结构分别为x = 0、0.10-0.60和0.80-1.0。当铈含量(x)= 0-0.60时,立方相的数量从100%减少到24%,并且在x = 0.80时发生了向正交晶相的完全转变。此外,已经观察到单-双-单结构相变。平均键长随铈含量而降低。由于(Ce,Fe)O 6八面体的倾斜和旋转,沿O–B–O和B–O–B的键角大大偏离。畸变/氧空位的存在使该化合物可用于工业应用。

更新日期:2021-05-13
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