Key role of covalent bonding in octahedral tilting in perovskites

Journal of Physical Chemistry Letters

Volumn 1, Issue 3, 2010, Pages 647-651

  Garcia Fernandez, P ^a   Aramburu, J A ^a   Barriuso, M T ^a   Moreno, M ^a  

^a UNIVERSITY OF CANTABRIA   (Spain)

Author keywords

General theory; Molecular structure; Quantum chemistry

Indexed keywords

3D TRANSITION METALS; AB INITIO CALCULATIONS; COVALENT BONDING; ELECTRON DENSITIES; ELECTRON POPULATION; EMPIRICAL MODEL; GENERAL THEORY; ION SIZE; JAHN TELLER EFFECT; LOW TEMPERATURES; MAGNETIC STATE; OCTAHEDRAL TILTING; ORBITALS; PEROVSKITE STRUCTURES; TILTING ANGLE;

CALCIUM; CRYSTALS; MOLECULAR STRUCTURE; OXIDE MINERALS; PEROVSKITE; QUANTUM THEORY; TRANSITION METALS;

CRYSTAL STRUCTURE;

EID: 77749234219     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz900399m     Document Type: Article

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