Magnetic structure and ferroelectric polarization of MnWO4 investigated by density functional calculations and classical spin analysis

Abstract

The ordered magnetic states of MnWO4 at low temperatures were examined by evaluating the spin exchange interactions between the Mn2+ ions of MnWO4 on the basis of first principles density functional calculations and by performing classical spin analysis with the resulting spin exchange parameters. Our work shows that the spin exchange interactions are frustrated within each zigzag chain of Mn2+ ions along the c-direction and between such chains of Mn2+ ions along the a-direction. This explains the occurrence of a spiral-spin order along the c- and a-directions in the incommensurate magnetic state AF2, and that of a uudd spin order along the c- and a-directions in the commensurate magnetic state AF1. The ferroelectric polarization of MnWO4 in the spiral-spin state AF2 was examined by performing Berry phase calculations for a model superstructure to find that the ferroelectric polarization occurs along the b-direction, in agreement with experiment.

arXiv comment30 pages, 10 figures, 4 figures

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Cited by in corpus (14)

• General Theory for the Ferroelectric Polarization Induced by Spin-Spiral Order
• Long-Range Magnetic Interactions in the Multiferroic Antiferromagnet $\mathrm{MnW}{\mathrm{O}}_4$
• Effect of nonmagnetic substituents Mg and Zn on the phase competition in the multiferroic antiferromagnet MnWO4
• Time-resolved imaging of magnetoelectric domain switching in multiferroic MnWO4
• Magnetic orders and spin-flop transitions in the cobalt doped multiferroic $\mathrm{M}{\mathrm{n}}_{1-\mathrm{x}}\mathrm{C}{\mathrm{o}}_{\mathrm{x}}\mathrm{W}{\mathrm{O}}_4$
• Origin of Multiferroicity in MnWO4
• Helicity, anisotropies and their competition in a multiferroic magnet: insight from the phase diagram
• Magnetic field-induced spontaneous polarization reversal in multiferroic Mn${}_{0.85}$Co${}_{0.15}$WO${}_4$
• Landau theory for the phase diagram of the multiferroic Mn${}_{1-x}$(Fe,Zn,Mg)${}_x$WO${}_4$
• Superexchange theory of electronic polarization driven by relativistic spin-orbit interaction at the half-filling
• Spin-Wave and Electromagnon Dispersions in Multiferroic MnWO4 as Observed by Neutron Spectroscopy: Isotropic Heisenberg Exchange versus Anisotropic Dzyaloshinskii-Moriya Interaction
• Pressure effects on magnetic ground states in cobalt doped multiferroic Mn${}_{1-x}$Co${}_x$WO${}_4$
• Structural dimerization in the commensurate magnetic phases of NaFe(WO${}_4$)${}_2$ and MnWO${}_4$
• Theoretical spin-wave dispersions in the antiferromagnetic phase AF1 of MnWO${}_4$ based on the polar atomistic model in P2