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Ferroelectric and magnetoelectric origins of multiferroic SmCrO 3
Author(s) -
Ding Jun,
Wen Liwei,
Li Haidong,
Hao Haoshan,
Zhang Ying
Publication year - 2019
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/jace.15898
Subject(s) - ferroelectricity , multiferroics , condensed matter physics , antiferromagnetism , polarization (electrochemistry) , materials science , magnetic structure , polarization density , physics , chemistry , magnetic field , magnetization , quantum mechanics , dielectric , optoelectronics
We investigated the magnetic and ferroelectric properties of orthochromite SmCrO 3 by using density functional theory simulations. The atom coordinates of both Pbnm and Pna2 1 were calculated, and Pna2 1 was found to be the ground state structure. The spontaneous polarization in Pna2 1 structure is sensitive to delicate structure change which is induced by different antiferromagnetic order, and its direction is along the c axis. The spin structure of Pbnm was analyzed and it was found to not support ferroelectricity. The results revealed the origin of ferroelectricity of multiferroic SmCrO 3 and explained the magnetoelectric effect.