Octahedral tilting in ACu3Ru4O12 (A=Na, Ca, Sr, La, Nd)
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چکیده
منابع مشابه
Abstract Octahedral Tilting in ACu3Ru4O12 (A=Na,Ca,Sr,La,Nd)
The perovskite-like compounds ACu 3 Ru 4 O 12 (A=Na,Ca,Sr,La,Nd) are studied by means of density functional theory based electronic structure calculations using the augmented spherical wave (ASW) method. The electronic properties are strongly influenced by covalent type bonding between transition metal d and oxygen p states. The characteristic tilting of the RuO 6 octahedra arises mainly from t...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2003
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(03)00201-x