Indexed by:
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:
Reprint Author's Address:
Email:
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
Affiliated Colleges: