This title appears in the Scientific Report :
2015
Please use the identifier:
http://hdl.handle.net/2128/8429 in citations.
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.91.014105 in citations.
Electric dipole sheets in ${\mathrm{BaTiO}}_{3}/{\mathrm{BaZrO}}_{3}$ superlattices
Electric dipole sheets in ${\mathrm{BaTiO}}_{3}/{\mathrm{BaZrO}}_{3}$ superlattices
We investigate two-dimensional electric dipole sheets in the superlattice made of BaTiO3 and BaZrO3 using first-principles-based Monte Carlo simulations and density functional calculations. Electric dipole domains and complex patterns are observed and complex dipole structures with various symmetrie...
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Personal Name(s): | Jiang, Zhijun |
---|---|
Xu, Bin / Li, Fei / Wang, Dawei (Corresponding Author) / Jia, C.-L. | |
Contributing Institute: |
Mikrostrukturforschung; PGI-5 |
Published in: | Physical Review B Physical review / B, 91 91 (2015 2015) 1 1, S. 014105 014105 |
Imprint: |
College Park, Md.
APS
2015
|
DOI: |
10.1103/PhysRevB.91.014105 |
Document Type: |
Journal Article |
Research Program: |
Controlling Configuration-Based Phenomena |
Link: |
OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://dx.doi.org/10.1103/PhysRevB.91.014105 in citations.
We investigate two-dimensional electric dipole sheets in the superlattice made of BaTiO3 and BaZrO3 using first-principles-based Monte Carlo simulations and density functional calculations. Electric dipole domains and complex patterns are observed and complex dipole structures with various symmetries (e.g., Pma2,Cmcm, and Pmc21) are further confirmed by density functional calculations, which are found to be almost degenerate in energy with the ferroelectric ground state of the Amm2 symmetry, therefore strongly resembling magnetic sheets. More complex dipole patterns, including vortices and antivortices, are also observed, which may constitute the intermediate states that overcome the high-energy barrier of different polarization orientations previously predicted by A. I. Lebedev [Phys. Solid State 55, 1198 (2013)]. We also show that such system possesses large electrostrictive effects that may be technologically important. |