Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations

Journal of Solid State Chemistry

Volumn 195, Issue , 2012, Pages 21-31

  Bennett, Joseph W ^a   Rabe, Karin M ^a  

^a RUTGERS UNIVERSITY   (United States)

Author keywords

Database searching; First principles calculations; Polar materials

Indexed keywords

CRYSTALLOGRAPHIC DATABASE; DATABASE SEARCHING; DOUBLE PEROVSKITES; FERROELECTRIC SEMICONDUCTORS; FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES CALCULATION; FUNCTIONAL PROPERTIES; HIGH-THROUGHPUT; IMPROPER FERROELECTRICS; POLAR MATERIALS; STRUCTURE TYPE;

CALCULATIONS; DATABASE SYSTEMS; FERROELECTRICITY; INFORMATION RETRIEVAL; MANGANESE; PEROVSKITE; SEARCH ENGINES; SEMICONDUCTING SELENIUM COMPOUNDS;

FERROELECTRIC MATERIALS;

EID: 84866946907     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2012.05.013     Document Type: Article

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