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Two types of B-site ordered structures of the double perovskite Y_(2)CrMnO_(6):experimental identification and first-principles study
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作者 Weipeng Wang Fuyang liu +6 位作者 Xuejing Zhang Xi Shen Yuan Yao Yanguo Wang banggui liu Xiaoyang liu Richeng Yu 《Inorganic Chemistry Frontiers》 2018年第1期217-224,共8页
Double perovskite generally exhibits small structure distortion induced by the expansion/contraction and tilting of the BO_(6)octahedron.It is difficult to precisely determine their structures,particularly the phase w... Double perovskite generally exhibits small structure distortion induced by the expansion/contraction and tilting of the BO_(6)octahedron.It is difficult to precisely determine their structures,particularly the phase with notable pseudo-symmetry structure and two or more phases with slightly different structures.In this paper,the double perovskite Y_(2)CrMnO_(6)synthesized under high pressure was studied using scanning transmission electron microscopy and first-principles calculations.The new finding is that a rock-salt ordered structure and a layer ordered structure coexist in Y_(2)CrMnO_(6).Similar to the Cu^(2+)-based compound,this Mn^(3+)-based compound is another new system with layer ordered structure.Unlike the structures of YCrO_(3)and YMnO_(3),the ordered structure of Y_(2)CrMnO_(6)displays half-metal characteristics. 展开更多
关键词 double perovskite scanning transmission electron microscopy Y CrMnO rock salt ordered structure half metal characteristics layer ordered structure
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