Physics – Condensed Matter – Materials Science
Scientific paper
2005-05-19
Appl. Phys. Lett. 87, 102906 (2005)
Physics
Condensed Matter
Materials Science
The following article has been submitted to Applied Physics Letters. After it is published, it will be found at http://apl.aip
Scientific paper
10.1063/1.2042630
Composition-dependent structural and polar properties of epitaxial short-period CaTiO_3/SrTiO_3/BaTiO_3 superlattices grown on a SrTiO_3 substrate are investigated with first-principles density-functional theory computational techniques. Polarization enhancement with respect to bulk tetragonal BaTiO_3 is found for two- and three-component superlattices with a BaTiO_3 concentration of more than 30%. Individual BaTiO_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 nano-electro-mechanical devices.
Nakhmanson Serge M.
Rabe Karin M.
Vanderbilt David
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