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Title: Giant Ferroelectric Polarization in Ultrathin Ferroelectrics via Boundary-Condition Engineering

Authors:
 [1];  [2];  [3];  [2];  [4];  [5];  [5];  [4];  [5];  [4];  [3];  [6];  [2]
  1. Department of Chemical Engineering and Materials Science, University of California Irvine, Irvine CA 92697 USA, National Laboratory of Solid State Microstructures and College of Engineering and Applied Sciences, Nanjing University, Nanjing Jiangsu 210093 P. R. China
  2. Department of Chemical Engineering and Materials Science, University of California Irvine, Irvine CA 92697 USA
  3. Department of Materials Science and Engineering, Cornell University, Ithaca NY 14850 USA
  4. Department of Materials Science and Engineering, Pennsylvania State University, State College PA 16802 USA
  5. Department of Materials Science and Engineering, University of Michigan, Ann Arbor MI 48105 USA
  6. National Laboratory of Solid State Microstructures and College of Engineering and Applied Sciences, Nanjing University, Nanjing Jiangsu 210093 P. R. China
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1374090
Grant/Contract Number:
SC0014430; 2015CB654901
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 29; Journal Issue: 30; Related Information: CHORUS Timestamp: 2017-08-07 09:40:37; Journal ID: ISSN 0935-9648
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Xie, Lin, Li, Linze, Heikes, Colin A., Zhang, Yi, Hong, Zijian, Gao, Peng, Nelson, Christopher T., Xue, Fei, Kioupakis, Emmanouil, Chen, Longqing, Schlom, Darrel G., Wang, Peng, and Pan, Xiaoqing. Giant Ferroelectric Polarization in Ultrathin Ferroelectrics via Boundary-Condition Engineering. Germany: N. p., 2017. Web. doi:10.1002/adma.201701475.
Xie, Lin, Li, Linze, Heikes, Colin A., Zhang, Yi, Hong, Zijian, Gao, Peng, Nelson, Christopher T., Xue, Fei, Kioupakis, Emmanouil, Chen, Longqing, Schlom, Darrel G., Wang, Peng, & Pan, Xiaoqing. Giant Ferroelectric Polarization in Ultrathin Ferroelectrics via Boundary-Condition Engineering. Germany. doi:10.1002/adma.201701475.
Xie, Lin, Li, Linze, Heikes, Colin A., Zhang, Yi, Hong, Zijian, Gao, Peng, Nelson, Christopher T., Xue, Fei, Kioupakis, Emmanouil, Chen, Longqing, Schlom, Darrel G., Wang, Peng, and Pan, Xiaoqing. 2017. "Giant Ferroelectric Polarization in Ultrathin Ferroelectrics via Boundary-Condition Engineering". Germany. doi:10.1002/adma.201701475.
@article{osti_1374090,
title = {Giant Ferroelectric Polarization in Ultrathin Ferroelectrics via Boundary-Condition Engineering},
author = {Xie, Lin and Li, Linze and Heikes, Colin A. and Zhang, Yi and Hong, Zijian and Gao, Peng and Nelson, Christopher T. and Xue, Fei and Kioupakis, Emmanouil and Chen, Longqing and Schlom, Darrel G. and Wang, Peng and Pan, Xiaoqing},
abstractNote = {},
doi = {10.1002/adma.201701475},
journal = {Advanced Materials},
number = 30,
volume = 29,
place = {Germany},
year = 2017,
month = 6
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on June 6, 2018
Publisher's Accepted Manuscript

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  • The low-frequency quadratic electro-optical effect with a maximum electro-optical coefficient of g = 8 Multiplication-Sign 10{sup -19} m{sup 2}/V{sup 2} (i.e., four orders of magnitude greater than the standard high-frequency value) has been studied in thin films of ferroelectric polymer PVDF(70%)-TrFE(30%). The observed effect is related to the process of spontaneous polarization switching, during which the electron oscillators of C-F and C-H dipole groups rotate to become parallel to the applied field. As a result, the ellipsoid of the refractive index exhibits narrowing in the direction perpendicular to the field. The field dependence of the electro-optical coefficient g correlates withmore » that of the apparent dielectric permittivity, which can be introduced under the condition of ferroelectric polarization switching. The observed electro-optical effect strongly decreases when the frequency increases up to several hundred hertz. The temperature dependence of the effect exhibits clearly pronounced hysteresis in the region of the ferroelectric phase transition.« less
  • It is shown that anomalous piezoelectric properties of epitaxial nanostructures arise on the morphotropic phase boundary (MPB) due to the strong flexoelectric effect on dislocation walls. The MPB (typical of many materials) exhibits a coexistence of various phases and partition of these phases to minimum sizes. This minimum size l{sub c} (nanoscale) is found using the dislocation theory; it coincides with the distance between individual dislocations in dislocation walls, which is much larger than the Burgers vector b, regardless of the type of crystalline material. The flexoelectric coefficients f are estimated taking into account dimensional relations and experimental data onmore » the rotations of ferroelectric nanodomains in multiferroics. These estimates coincide with classical values. The critical value l{sub c} ~ 10b specifies the measured dependence on the dielectric susceptibility χ{sub e}, f ~ χ{sub e}{sup 1/2}. The quantity χ{sub e} depends on the frequency of the ac electric field applied to a sample and on the dislocation density. The Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3}/Ni{sub 0.8}Zn{sub 0.2}Fe{sub 2}O{sub 4} ceramic composite shows typical frequency dispersion of χ{sub e} in a wide frequency range. The frequency dependence of flexoelecric coefficients is shown to reproduce the frequency dependence of permittivity at high frequencies.« less
  • We propose a strategy to engineer the band gaps of perovskite oxide ferroelectrics, supported by first principles calculations. We find that the band gaps of perovskites can be substantially reduced by as much as 1.2 eV through local rhombohedral-to-tetragonal structural transition. Furthermore, the strong polarization of the rhombohedral perovskite is largely preserved by its tetragonal counterpart. The B-cation off-center displacements and the resulting enhancement of the antibonding character in the conduction band give rise to the wider band gaps of the rhombohedral perovskites. The correlation between the structure, polarization orientation, and electronic structure lays a good foundation for understanding the physicsmore » of more complex perovskite solid solutions and provides a route for the design of photovoltaic perovskite ferroelectrics.« less
  • A series of 50 ns-duration electric field pulses switches the polarization of a 35 nm-thick ferroelectric Pb(Zr,Ti)O3 film only at electric fields greater than 1.5 MV/cm, a factor of three higher than the low-frequency coercive field. There is no switching in response to a large number of pulses with lower fields, even when the total duration reaches several milliseconds. During longer microsecond-duration electric fields, however, switching progresses monotonically in both x-ray microdiffraction images and in electrical measurements. The difference between long and short electric field durations arises from domain nucleation and charge transport. A phase field model shows that themore » shrinking of the switched domain in the interval between pulses is a less important effect.« less
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