Lee, Jun Hee ; Yu, Jaejun ; Waghmare, U. V. (2009) Origin of reduced polarizations in short-period BaTiO3/SrTiO3 ferroelectric superlattices Journal of Applied Physics, 105 (1). 016104_1-016104_3. ISSN 0021-8979
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Official URL: http://jap.aip.org/resource/1/japiau/v105/i1/p0161...
Related URL: http://dx.doi.org/10.1063/1.3056388
Abstract
We present an analysis of the polarization properties of BaTiO3/SrTiO3 superlattices using an effective Hamiltonian derived from first-principles calculations based on density-functional theory. We show that the hardening and modification of local soft modes at the interface environment is responsible for (a) the deviation of the interface structure from the bulk one and (b) the suppression of polarization in the short-period superlattices. The effect of this interfacial coupling is shown to be enhanced as the epitaxial strain becomes tensile.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Barium Compounds; Density Functional Theory; Dielectric Polarisation; Elastic Deformation; Ferroelectric Materials; Ferroelectric Thin Films; Interface Structure; Soft Modes; Strontium Compounds; Superlattices |
| ID Code: | 59362 |
| Deposited On: | 06 Sep 2011 05:45 |
| Last Modified: | 06 Sep 2011 05:45 |
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