Oxide chemistry and local structure of PbZrxTi 1-xO3 studied by density-functional theory supercell calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 14, 2004, Pages

  Grinberg, Ilya ^a   Cooper, Valentino R ^a   Rappe, Andrew M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

LEAD; OXIDE; PEROVSKITE; TITANIUM; ZIRCONIUM;

ARTICLE; CHEMICAL BOND; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ENERGY TRANSFER; NEUTRON SCATTERING; PHASE TRANSITION; PIEZOELECTRICITY; POLARIZATION; TEMPERATURE DEPENDENCE;

EID: 42749105674     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.144118     Document Type: Article

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