Effect of the Magnetic Configurations on the Polarization Strength in the Hexagonal YMnO3

Dong Chen, Yinlian Zhu, Xiuliang Ma


Using the first-principles method, we calculate the total energies per formula unit, lattice constants and local magnetic moments of different magnetic configurations for the hexagonal YMnO3. By analysis of atomic relative displacements and magnetic configurations, we study the effect of the magnetic configurations on the polarization strength and find that different magnetic configurations have different polarization strengths, which suggests that changing the magnetic structure of YMnO3 would cause the polarization variation and may shed light on the potential for applications.


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