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

Vorotiahin, Ivan S.; Eliseev, E. A.; Li, Qian; Kalinin, Sergei V.; Genenko, Yuri; Morozovska, A. N.

doi:10.1016/j.actamat.2017.07.033

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

Journal Article · Fri Jul 14 00:00:00 EDT 2017 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2017.07.033· OSTI ID:1886521

Vorotiahin, Ivan S. ^[1]; Eliseev, E. A. ^[2]; ^[3]; ^[3]; Genenko, Yuri ^[4]; ^[2]

Technical Univ. of Darmstadt (Germany); NAS of Ukraine, Kyiv (Ukraine)
NAS of Ukraine, Kyiv (Ukraine)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Technical Univ. of Darmstadt (Germany)

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.

View Accepted Manuscript (DOE)

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: German Research Foundation (DFG); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1886521

Alternate ID(s):: OSTI ID: 1549549

Journal Information:: Acta Materialia, Journal Name: Acta Materialia Vol. 137; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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