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...
Main Authors: | , , |
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Format: | Article |
Language: | English |
Published: |
IOP Publishing
2015-01-01
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Series: | New Journal of Physics |
Subjects: | |
Online Access: | https://doi.org/10.1088/1367-2630/17/11/113038 |