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Unusual Emergence of Magnetism in Ferroelectric Nanostructures and Proposal of Multi-Functional Design Concepts

Research Project

Project/Area Number 25630010
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Materials/Mechanics of materials
Research InstitutionKyoto University

Principal Investigator

SHIMADA TAKAHIRO  京都大学, 工学(系)研究科(研究院), 助教 (20534259)

Project Period (FY) 2013-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2014: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2013: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywordsナノ構造 / 強誘電体 / 特異的磁性発現 / マルチフィジックス特性 / 第一原理解析
Outline of Final Research Achievements

In this study, the emergence and properties of magnetism in nanostructured and nano-defected ferroelectrics are investigated by the first-principles calculations using parallel computations. It is revealed that oxygen vacancies coupled with grain boundaries and free surfaces that characterize the nano-ferroelectrics induce magnetism. This emergence of magnetism is due to the split of the electronic state of oxygen vacancies, i.e., defect state. The emerged magnetism at the oxygen vacancies are strongly coupled with ferroelectric polarizations, i.e., the existence of magnetoelectric coupling. In addition, the magnetism also interacts with applied strains, leading to a various magnetic phase transitions including ferromagnetic, antiferromagnetic, and nonmagnetic phases. This clearly indicates that there exists a remarkable multi-physics property.

Report

(3 results)
  • 2014 Annual Research Report   Final Research Report ( PDF )
  • 2013 Research-status Report
  • Research Products

    (28 results)

All 2015 2014 2013 Other

All Journal Article (17 results) (of which Peer Reviewed: 17 results) Presentation (7 results) (of which Invited: 4 results) Remarks (4 results)

  • [Journal Article] Multiferroic grain boundaries in oxygen-deficient ferroelectric lead titanate2015

    • Author(s)
      Takahiro Shimada, Jie Wang, Taku Ueda, Yoshitaka Uratani, Kou Arisue, Matous Mrovec, Christian Elsässer, and Takayuki Kitamura
    • Journal Title

      Nano Letters

      Volume: 15 Issue: 1 Pages: 27-33

    • DOI

      10.1021/nl502471a

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Magnetic instability criterion for spin-lattice systems2015

    • Author(s)
      T. Shimada, K. Ouchi, I. Ikeda, Y Ishii, and T. Kitamura
    • Journal Title

      Computational Materials Science

      Volume: 97 Pages: 216-221

    • DOI

      10.1016/j.commatsci.2014.10.040

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Anomalous Toughening in Nanoscale Ferroelectrics with Polarization Vortices2015

    • Author(s)
      Le Van Lich, Takahiro Shimada, Koyo Nagano, Yu Hongjun, Jie Wang, Kai Huang and Takayuki Kitamura
    • Journal Title

      Acta Materialia

      Volume: 88 Pages: 147-155

    • DOI

      10.1016/j.actamat.2014.12.056

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] hiral Selectivity of Improper Ferroelectricity in Single-wall PbTiO3 Nanotubes2014

    • Author(s)
      J. Wang, T. Xu, T. Shimada, X. Wang, T. -Y. Zhang, and T. Kitamura
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 14

    • DOI

      10.1103/physrevb.89.144102

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Large electrocaloric effect induced by the multi-domain to mono-domain transition in ferroelectrics2014

    • Author(s)
      J. Wang, M. Liu, Y. Zhang, T. Shimada, S.-Q. Shi, and T. Kitamura
    • Journal Title

      Journal of Applied Physics

      Volume: 115 Issue: 16

    • DOI

      10.1063/1.4873112

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Strain-induced polarity switching of magnetic vortex in Fel-xGax alloys with different compositions2014

    • Author(s)
      G.-P. Li, J. Wang, T. Shimada, H. Fang, and T. Kitamura
    • Journal Title

      Journal of Applied Physics

      Volume: 115 Issue: 20

    • DOI

      10.1063/1.4879902

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Strain tunable ferroelectric and dielectric properties of BaZr032014

    • Author(s)
      Y. Zhang, M. Liu, J. Wang, T. Shimada, and T. Kitamura
    • Journal Title

      Journal of Applied Physics

      Volume: 115 Issue: 22

    • DOI

      10.1063/1.4883298

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ab initio study of multiferroic BiFe03(110)surfaces2014

    • Author(s)
      T. Shimada, K. Arisue, J. Wang, and T. Kitamura
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 24

    • DOI

      10.1103/physrevb.89.245437

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Multi-physics properties in ferroelectric nanostructure2014

    • Author(s)
      T. Shimada and T. Kitamura
    • Journal Title

      Mechanical Engineering Reviews

      Volume: 1 Issue: 2 Pages: SMM0009-SMM0009

    • DOI

      10.1299/mer.2014smm0009

    • NAID

      130004647536

    • ISSN
      2187-9753
    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Strain-mediated multilevel ferroelectric random access memory operating through a magnetic field2014

    • Author(s)
      J. Wang, K. Nagano, T. Shimada, and T. Kitamura
    • Journal Title

      RSC Advances

      Volume: 4 Issue: 85 Pages: 45382-45388

    • DOI

      10.1039/c4ra07013e

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Disappearance of ferroelectric critical thickness in epitaxial ultrathin BaZr03 films2014

    • Author(s)
      Y. Zhang, G.-P. Li, T. Shimada, J. Wang, and T. Kitamura
    • Journal Title

      Physical Review B

      Volume: 90 Issue: 18

    • DOI

      10.1103/physrevb.90.184107

    • Related Report
      2014 Annual Research Report
    • Peer Reviewed
  • [Journal Article] First-Principles Study of Ferroelectric-Ferromagnetic Coupling in Multiferroic BiFeO<sub><font size="-1">3</font></sub>2014

    • Author(s)
      有末紘,嶋田隆広,北村隆行
    • Journal Title

      Journal of the Society of Materials Science, Japan

      Volume: 63 Issue: 2 Pages: 168-173

    • DOI

      10.2472/jsms.63.168

    • NAID

      130003393237

    • ISSN
      0514-5163, 1880-7488
    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Hybrid Hartree-Fock density functional study of charged point defects2013

    • Author(s)
      Takahiro Shimada
    • Journal Title

      Physical Review B

      Volume: 87 Issue: 17 Pages: 174111-174111

    • DOI

      10.1103/physrevb.87.174111

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Chiral selectivity of unusual helimagnetic transition in iron nanotubes: Chirality makes quantum helimagnets2013

    • Author(s)
      Takahiro Shimada
    • Journal Title

      Nano Letters

      Volume: 13 Issue: 6 Pages: 2792-2797

    • DOI

      10.1021/nl401047z

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Role of grain orientation distribution in the ferroelectric and ferroelastic domain switching of ferroelectric polycrystals2013

    • Author(s)
      Jie Wang, Weilin Shu, Takahiro Shimada, Takayuki Kitamura, Tong-Yi Zhang
    • Journal Title

      Acta Materialia

      Volume: Vol. 61 Issue: 16 Pages: 6037-6049

    • DOI

      10.1016/j.actamat.2013.06.044

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Multi-physics analysis of nano-structured ferroelectrics by first-principles simulations2013

    • Author(s)
      Takahiro Shimada
    • Journal Title

      Acta Mechanica

      Volume: 224 Issue: 6 Pages: 1261-1270

    • DOI

      10.1007/s00707-013-0873-7

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Journal Article] Direct approach for flexoelectricity from first-principles calculations : cases for SrTiO3 and BaTiO32013

    • Author(s)
      Tao Xu, Jie Wang, Takahiro Shimada, Takayuki Kitamura
    • Journal Title

      Journal of Physics : Condensed Matter

      Volume: Vol. 25 Issue: 41 Pages: 415901-415901

    • DOI

      10.1088/0953-8984/25/41/415901

    • Related Report
      2013 Research-status Report
    • Peer Reviewed
  • [Presentation] Ultimately-small multiferroics in deficient ferroelectric nanostructures2014

    • Author(s)
      Takahiro Shimada
    • Organizer
      International Conference on Small Science (ICSS2014)
    • Place of Presentation
      Hong Kong
    • Year and Date
      2014-12-08 – 2014-12-11
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Polarization labyrinth in ferroelectric nano-metamaterials2014

    • Author(s)
      Takahiro Shimada
    • Organizer
      2014 MRS Fall Meeting & Exhibit
    • Place of Presentation
      Boston, USA
    • Year and Date
      2014-11-30 – 2014-12-05
    • Related Report
      2014 Annual Research Report
  • [Presentation] Oxygen vacancies on ferroelectric oxide surfaces as quantum multiferroics2014

    • Author(s)
      Takahiro Shimada
    • Organizer
      Asian Conference on Mechanics of Functional Materials and Structures (ACMFMS2014)
    • Place of Presentation
      Nara, Japan
    • Year and Date
      2014-10-10 – 2014-10-13
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Multi-physics properties in low-dimensional nanostructures from first-principles2014

    • Author(s)
      Takahiro Shimada
    • Organizer
      13th International Symposium on Physics of Materials (ISPMA13)
    • Place of Presentation
      Prague, Czech Republic
    • Year and Date
      2014-08-31 – 2014-09-04
    • Related Report
      2014 Annual Research Report
    • Invited
  • [Presentation] Origin of dilute ferromagnetism in deficient PbTiO3: A hybrid Hartree-Fock density-functional study2013

    • Author(s)
      T. Shimada
    • Organizer
      International Symposium on Atomistic Modeling for Mechanics and Multiphysics of Materials (ISAM4 2013)
    • Place of Presentation
      Tokyo (Japan)
    • Related Report
      2013 Research-status Report
  • [Presentation] Multi-physics properties in nano-structured ferroelectrics from first-principles2013

    • Author(s)
      T. Kitamura
    • Organizer
      International Symposium on Atomistic Modeling for Mechanics and Multiphysics of Materials (ISAM4 2013)
    • Place of Presentation
      Tokyo (Japan)
    • Related Report
      2013 Research-status Report
    • Invited
  • [Presentation] Origin of ferromagnetism and magnetoelectric coupling in deficient ferroelectric nanostructures2013

    • Author(s)
      T. Shimada
    • Organizer
      MRS Fall Meeting 2013
    • Place of Presentation
      Boston (USA)
    • Related Report
      2013 Research-status Report
  • [Remarks] 京都大学 教育研究活動データベース

    • URL

      http://kyouindb.iimc.kyoto-u.ac.jp/j/gT3rQ

    • Related Report
      2014 Annual Research Report
  • [Remarks] 京都大学 材料物性学研究室

    • URL

      http://kitamura-lab2.p2.weblife.me/

    • Related Report
      2014 Annual Research Report
  • [Remarks] 京都大学 材料物性学研究室

    • URL

      http://kitamura-lab2.p2.weblife.me/

    • Related Report
      2013 Research-status Report
  • [Remarks] 京都大学 教育研究活動データベース

    • URL

      http://kyouindb.iimc.kyoto-u.ac.jp/j/gT3rQ

    • Related Report
      2013 Research-status Report

URL: 

Published: 2014-07-25   Modified: 2019-07-29  

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