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Author:

Lin, Shenye (Lin, Shenye.) | Zhang, Ming (Zhang, Ming.) | Wang, Zhaohui (Wang, Zhaohui.) | Pan, Yanhong (Pan, Yanhong.)

Indexed by:

EI Scopus SCIE

Abstract:

We present a theoretical study on structural stability, magnetism and ferroelectricity in an A-site ordered cubic perovskite LaMn3Fe4O12 ( LMFO) compound using first-principle calculation. The calculated results indicated that LMFO was a thermodynamically stable insulator and the stability of the dual G-type antiferromagnetic (AFM) ordering was the most stable state among all considered spin configurations. Besides, a magnetically induced ferroelectricity with the theoretical maximum polarization of around 88.63 mu C/m(2) along the < 1 1 1 > directions was approved and the ferroelectricity was attributed to the probable interaction between Mn3+ and Fe3+ ions with a collinear spin configuration in this cubic perovskite structure. (C) 2017 Elsevier B.V. All rights reserved.

Keyword:

Multiferroic Cubic perovskite LaMn3Fe4O12

Author Community:

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

Reprint Author's Address:

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

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Source :

COMPUTATIONAL MATERIALS SCIENCE

ISSN: 0927-0256

Year: 2017

Volume: 133

Page: 116-121

3 . 3 0 0

JCR@2022

ESI Discipline: MATERIALS SCIENCE;

ESI HC Threshold:287

CAS Journal Grade:3

Cited Count:

WoS CC Cited Count: 0

SCOPUS Cited Count:

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 7

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