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Title: Interface control of ferroelectricity in LaNiO{sub 3}-BaTiO{sub 3} superlattices

LaNiO{sub 3}-BaTiO{sub 3} superlattices with different types of interfaces are studied from first-principles density-functional theory. It is revealed that the ferroelectricity in the superlattice with (NiO{sub 2}){sup −}/(BaO){sup 0} interfaces is enhanced from that of the superlattice with (LaO){sup +}/(TiO{sub 2}){sup 0} interfaces. The origin lies at the polar discontinuity at the interface, which makes the holes localized within the (NiO{sub 2}){sup −}/(BaO){sup 0} interface, but drives a penetration of electrons into BaTiO{sub 3} component near (LaO){sup +}/(TiO{sub 2}){sup 0} interface. Our calculations demonstrate an effective avenue to the robust ferroelectricity in BaTiO{sub 3} ultrathin films.
Authors:
 [1] ;  [2] ; ; ;  [3]
  1. Jiangsu Laboratory of Advanced Functional Materials and Physics Department, Changshu Institute of Technology, Changshu 215500 (China)
  2. (China)
  3. Department of Physics and Jiangsu Key Laboratory of Thin Films, Soochow University, Suzhou 215006 (China)
Publication Date:
OSTI Identifier:
22299794
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Advances; Journal Volume: 4; Journal Issue: 8; Other Information: (c) 2014 Author(s); Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BARIUM OXIDES; CONTROL; DENSITY FUNCTIONAL METHOD; INTERFACES; LANTHANUM OXIDES; NICKEL OXIDES; SUPERLATTICES; THIN FILMS; TITANATES; TITANIUM OXIDES