The flexoelectricity of barium and strontium titanates from first principles

We present ab initio calculations of the longitudinal flexoelectricity for BaTiO(3) and SrTiO(3) using a direct approach. The calculated value for SrTiO(3) agrees with recently reported measurements. For BaTiO(3), however, the theoretical values are smaller than the measured ones; possible reasons f...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2010-03, Vol.22 (11), p.112201-112201
Main Authors: Hong, Jiawang, Catalan, G, Scott, J F, Artacho, E
Format: Article
Language:English
Subjects:
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Dielectrics, piezoelectrics, and ferroelectrics and their properties
Exact sciences and technology
Physics
Piezoelectricity and electromechanical effects
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Summary:We present ab initio calculations of the longitudinal flexoelectricity for BaTiO(3) and SrTiO(3) using a direct approach. The calculated value for SrTiO(3) agrees with recently reported measurements. For BaTiO(3), however, the theoretical values are smaller than the measured ones; possible reasons for the discrepancy are discussed.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/22/11/112201