Polarization enhancement in two- and three-component ferroelectric superlattices

Composition-dependent structural and polar properties of epitaxial short-period Ca Ti O 3 ∕ - Sr Ti O 3 ∕ Ba Ti O 3 superlattices grown on a Sr Ti O 3 substrate are investigated with first-principles density-functional theory computational techniques. Polarization enhancement with respect to bulk te...

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Bibliographic Details
Published in:Applied physics letters 2005-09, Vol.87 (10), p.102906-102906-3
Main Authors: Nakhmanson, S. M., Rabe, K. M., Vanderbilt, David
Format: Article
Language:English
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Summary:Composition-dependent structural and polar properties of epitaxial short-period Ca Ti O 3 ∕ - Sr Ti O 3 ∕ Ba Ti O 3 superlattices grown on a Sr Ti O 3 substrate are investigated with first-principles density-functional theory computational techniques. Polarization enhancement with respect to bulk tetragonal Ba Ti O 3 is found for two- and three-component superlattices with a Ba Ti O 3 concentration of more than 30%. Individual Ba Ti O 3 layer thickness is identified as an important factor governing the polarization improvement. In addition, the degree of inversion-symmetry breaking in three-component superlattices can be controlled by varying the thicknesses of the component layers. The flexibility allowed within this large family of structures makes them highly suitable for various applications in modern nanoelectromechanical devices.
ISSN:0003-6951
1077-3118
DOI:10.1063/1.2042630