Ferroelectric phase transition and spontaneous electric polarization in CaMn7O12 from first principles

The phase transition mechanism and ferroelectric polarization of CaMn _7 O _12 are investigated by using the density functional theory. Our results show that the P 3 space group should be the ground-state structure with R 3 as the intermediate phase. It is the helicoidal magnetic order that induces...

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Bibliographic Details
Main Authors: Jian-Qing Dai, Yu-Min Song, Hu Zhang
Format: Article
Language:English
Published: IOP Publishing 2015-01-01
Series:New Journal of Physics
Subjects:
Online Access:https://doi.org/10.1088/1367-2630/17/11/113038