Ferroelectric and magnetoelectric origins of multiferroic SmCrO 3 | Zendy

Ding Jun | Zendy; Wen Liwei | Zendy; Li Haidong | Zendy; Hao Haoshan | Zendy; Zhang Ying | Zendy

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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.

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