Special quasirandom structures for perovskite solid solutions

Special quasirandom structures (SQS) are presently generated for disordered (A'1-x [Formula: see text] x )BX3 and A(B'1-x [Formula: see text] x )X3 perovskite solid solutions, with x  =  1/2 as well as 1/3 and 2/3. These SQS configurations are obtained by imposing that the so-called Cowley...

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Vydané v:	Journal of physics. Condensed matter Ročník 28; číslo 47; s. 475901
Hlavní autori:	Jiang, Zhijun, Nahas, Yousra, Xu, Bin, Prosandeev, Sergey, Wang, Dawei, Bellaiche, Laurent
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	England 30.11.2016
ISSN:	1361-648X, 1361-648X
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