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Title: Tuning the polar states of ferroelectric films via surface charges and flexoelectricity

Abstract

In this work, using the self-consistent Landau-Ginzburg-Devonshire approach we simulate and analyze the spontaneous formation of the domain structure in thin ferroelectric films covered with the surface screening charge represented by the Bardeen-type surface states. Hence we consider the competition between the screening and the domain formation as alternative ways to reduce the electrostatic energy and reveal unusual peculiarities of distributions of polarization, electric and elastic fields conditioned by the surface screening length and the flexocoupling strength. We have established that the critical thickness of the film and its transition temperature to a paraelectric phase strongly depend on the Bardeen screening length, while the flexocoupling affects the polarization rotation and closure domain structure. Furthermore the flexocoupling induces ribbon-like nano-scale domains in the film depth far from the top open surface, which might be related to the enigmatic polar nanoregions in relaxor ferroelectrics. Thus the joint action of the surface screening (originating from e.g. the adsorption of ambient ions or surface states) and flexocoupling may remarkably modify polar and electromechanical properties of thin ferroelectric films.

Authors:
 [1];  [2]; ORCiD logo [3]; ORCiD logo [3];  [4]; ORCiD logo [2]
+ Show Author Affiliations
  1. Technical Univ. of Darmstadt (Germany); NAS of Ukraine, Kyiv (Ukraine)
  2. NAS of Ukraine, Kyiv (Ukraine)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Technical Univ. of Darmstadt (Germany)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; German Research Foundation (DFG)
OSTI Identifier:
1886521
Alternate Identifier(s):
OSTI ID: 1549549
Grant/Contract Number:  
AC05-00OR22725; CNMS2016-061; GE 1171/7-1
Resource Type:
Accepted Manuscript
Journal Name:
Acta Materialia
Additional Journal Information:
Journal Volume: 137; Journal ID: ISSN 1359-6454
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Ferroelectric film; Domain structure; Flexoelectric effect; Surface screening charges

Citation Formats

Vorotiahin, Ivan S., Eliseev, E. A., Li, Qian, Kalinin, Sergei V., Genenko, Yuri, and Morozovska, A. N. Tuning the polar states of ferroelectric films via surface charges and flexoelectricity. United States: N. p., 2017. Web. doi:10.1016/j.actamat.2017.07.033.
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Vorotiahin, Ivan S., Eliseev, E. A., Li, Qian, Kalinin, Sergei V., Genenko, Yuri, & Morozovska, A. N. Tuning the polar states of ferroelectric films via surface charges and flexoelectricity. United States. https://doi.org/10.1016/j.actamat.2017.07.033
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Vorotiahin, Ivan S., Eliseev, E. A., Li, Qian, Kalinin, Sergei V., Genenko, Yuri, and Morozovska, A. N. Fri . "Tuning the polar states of ferroelectric films via surface charges and flexoelectricity". United States. https://doi.org/10.1016/j.actamat.2017.07.033. https://www.osti.gov/servlets/purl/1886521.
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@article{osti_1886521,
title = {Tuning the polar states of ferroelectric films via surface charges and flexoelectricity},
author = {Vorotiahin, Ivan S. and Eliseev, E. A. and Li, Qian and Kalinin, Sergei V. and Genenko, Yuri and Morozovska, A. N.},
abstractNote = {In this work, using the self-consistent Landau-Ginzburg-Devonshire approach we simulate and analyze the spontaneous formation of the domain structure in thin ferroelectric films covered with the surface screening charge represented by the Bardeen-type surface states. Hence we consider the competition between the screening and the domain formation as alternative ways to reduce the electrostatic energy and reveal unusual peculiarities of distributions of polarization, electric and elastic fields conditioned by the surface screening length and the flexocoupling strength. We have established that the critical thickness of the film and its transition temperature to a paraelectric phase strongly depend on the Bardeen screening length, while the flexocoupling affects the polarization rotation and closure domain structure. Furthermore the flexocoupling induces ribbon-like nano-scale domains in the film depth far from the top open surface, which might be related to the enigmatic polar nanoregions in relaxor ferroelectrics. Thus the joint action of the surface screening (originating from e.g. the adsorption of ambient ions or surface states) and flexocoupling may remarkably modify polar and electromechanical properties of thin ferroelectric films.},
doi = {10.1016/j.actamat.2017.07.033},
journal = {Acta Materialia},
number = ,
volume = 137,
place = {United States},
year = {Fri Jul 14 00:00:00 EDT 2017},
month = {Fri Jul 14 00:00:00 EDT 2017}
}
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https://doi.org/10.1016/j.actamat.2017.07.033
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