Ab initio study of antiferroelectric PbZrO3 (001) surfaces

Journal of Materials Science

Volumn 44, Issue 19, 2009, Pages 5249-5255

  Pilania, G ^a   Tan, D Q ^b   Cao, Y ^b   Venkataramani, V S ^b   Chen, Q ^b   Ramprasad, R ^a  

^a UNIVERSITY OF CONNECTICUT   (United States)

^b GE GLOBAL RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO STUDY; ANTIFERROELECTRICS; BAND GAPS; BULK-LIKE; CLEAN SURFACES; CUBIC PHASIS; FERROELECTRIC RHOMBOHEDRAL; FIRST-PRINCIPLES; HYDROXYL SPECIES; IN-PLANE; ORTHORHOMBIC PHASE; PARAELECTRICS; SURFACE GEOMETRIES; TOTAL-ENERGY CALCULATIONS;

ADSORBATES; ELECTRONIC STRUCTURE; LITHIUM COMPOUNDS; SURFACE RELAXATION;

ANTIFERROELECTRICITY;

EID: 68949166364     PISSN: 00222461     EISSN: 15734803     Source Type: Journal    
DOI: 10.1007/s10853-009-3465-0     Document Type: Article

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