Insulating to metallic behaviour in the cation ordered perovskites Ba2Nd1−xFexMoO6
نویسندگان
چکیده
منابع مشابه
Octahedral tilting in cation-ordered perovskites--a group-theoretical analysis.
Group-theoretical methods are used to enumerate the structures of ordered perovskites, in which 1:2 and 1:3 ordering of B and B' cations is considered in combination with the ubiquitous BX6 (or B'X6) octahedral tilting. The cation ordering on the B-cation site is described by irreducible representations of the Pm3 m space group of the cubic aristotype: Lambda1 (k = 1/3,1/3,1/3) for the cation o...
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The software package SPuDS has previously been shown to accurately predict crystal structures of AMX(3) and A(1 - x)A'(x)MX(3) perovskites that have undergone octahedral tilting distortions. This paper describes the extension of this technique and its accuracy for A(2)MM'X(6) ordered double perovskites with the aristotype Fm\overline 3m cubic structure, as well as those that have undergone octa...
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ژورنال
عنوان ژورنال: Journal of Materials Chemistry C
سال: 2017
ISSN: 2050-7526,2050-7534
DOI: 10.1039/c6tc04875g