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Author:

Zhang, Ming (Zhang, Ming.) | Lin, Shenye (Lin, Shenye.) | Ren, Kun (Ren, Kun.) | Wang, Zhaohui (Wang, Zhaohui.) | Pan, Yanhong (Pan, Yanhong.) | Wang, Yan (Wang, Yan.) | Cui, Yanlei (Cui, Yanlei.) | Zhang, Wei (Zhang, Wei.) | Wang, Ruzhi (Wang, Ruzhi.) (Scholars:王如志)

Indexed by:

EI Scopus SCIE

Abstract:

The lattice parameters, electronic structure, magnetism and multiferroicity of compound BiMn3Fe4O12 were investigated by using the first-principle calculations. The total energy calculations indicated that BiMn3Fe4O12 was a G-type antiferromagnetic insulator. The ferroelectricity was induced by magnetism and originated from the hybridization between Fe and Mn ions. The electric polarization was predicted to be around 39 mu C/m(2) along < 111 > orientation. It was sensitive to the lattice distortion such as Fe ion shift of FeO6 octahedron and a great improvement in electric polarization could be possibly achieved by strain engineering or inducing chemical pressure. Furthermore, the effects of on-site Coulomb repulsion on electronic structure, magnetism, and ferroelectricity were also discussed. It was showed that with increasing U the spin splitting increased, resulting in an increased ban-gap and hybridization between Fe and Mn ions, and then electric polarization. (C) 2017 Elsevier B.V. All rights reserved.

Keyword:

Multiferroic Magnetically induced ferroelectricity First-principle BiMn3Fe4O12

Author Community:

  • [ 1 ] [Zhang, Ming]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Lin, Shenye]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Wang, Zhaohui]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Pan, Yanhong]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 5 ] [Wang, Yan]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 6 ] [Cui, Yanlei]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 7 ] [Zhang, Wei]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 8 ] [Wang, Ruzhi]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 9 ] [Ren, Kun]Beijing Univ Technol, Coll Automat, Beijing 100124, Peoples R China

Reprint Author's Address:

  • [Zhang, Ming]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

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Source :

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

ISSN: 0304-8853

Year: 2017

Volume: 441

Page: 296-302

2 . 7 0 0

JCR@2022

ESI Discipline: PHYSICS;

ESI HC Threshold:158

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count: 3

SCOPUS Cited Count: 3

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 6

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