Quantification of flexoelectricity in PbTiO3/SrTiO3 superlattice polar vortices using machine learning and phase-field modeling

Li, Q.; Nelson, C. T.; Hsu, S. -L.; Damodaran, A. R.; Li, L. -L.; Yadav, A. K.; McCarter, M.; Martin, L. W.; Ramesh, R.; Kalinin, S. V.

doi:10.1038/s41467-017-01733-8

Title: Quantification of flexoelectricity in PbTiO₃/SrTiO₃ superlattice polar vortices using machine learning and phase-field modeling

Journal Article · Mon Nov 13 00:00:00 EST 2017 · Nature Communications

DOI:https://doi.org/10.1038/s41467-017-01733-8· OSTI ID:1419453

^[1]; Nelson, C. T. ^[2]; Hsu, S. -L. ^[3];

^[3]; Li, L. -L. ^[1];

^[3]; McCarter, M. ^[4];

^[5]; Ramesh, R. ^[3];

^[1]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS), Inst. for Functional Imaging of Materials and Center for Nanophase Materials Science
Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science & Technology Division
Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering
Univ. of California, Berkeley, CA (United States). Dept. of Physics
Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Sciences Division

Flexoelectricity refers to electric polarization generated by heterogeneous mechanical strains, namely strain gradients, in materials of arbitrary crystal symmetries. Despite more than 50 years of work on this effect, an accurate identification of its coupling strength remains an experimental challenge for most materials, which impedes its wide recognition. Here, we show the presence of flexoelectricity in the recently discovered polar vortices in PbTiO₃ /SrTiO₃ superlattices based on a combination of machine-learning analysis of the atomic-scale electron microscopy imaging data and phenomenological phase-field modeling. By scrutinizing the influence of flexocoupling on the global vortex structure, we match theory and experiment using computer vision methodologies to determine the flexoelectric coefficients for PbTiO₃ and SrTiO₃. Here, our findings highlight the inherent, nontrivial role of flexoelectricity in the generation of emergent complex polarization morphologies and demonstrate a viable approach to delineating this effect, conducive to the deeper exploration of both topics.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; SC0012375; GBMF5307; W911NF-14-1-0104

OSTI ID:: 1419453

Journal Information:: Nature Communications, Vol. 8, Issue 1; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 72 works

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Title: Quantification of flexoelectricity in PbTiO3/SrTiO3 superlattice polar vortices using machine learning and phase-field modeling

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Title: Quantification of flexoelectricity in PbTiO₃/SrTiO₃ superlattice polar vortices using machine learning and phase-field modeling