Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations

Journal of Applied Physics

Volumn 98, Issue 9, 2005, Pages

  Grinberg, Ilya ^a   Suchomel, Matthew R ^b   Davies, Peter K ^b   Rappe, Andrew M ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FIRST-PRINCIPLE CALCULATIONS; LOCAL REPULSION; MORPHOTROPIC PHASE BOUNDARY (MPB); QUANTITATIVE ACCURACY;

BISMUTH COMPOUNDS; BOUNDARY CONDITIONS; LEAD COMPOUNDS; PEROVSKITE; POSITIVE IONS; SOLID SOLUTIONS; SUPERCONDUCTING TRANSITION TEMPERATURE;

FERROELECTRIC MATERIALS;

EID: 27844480683     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2128049     Document Type: Article

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