The ferroelectric polarization of Y2CoMnO6 aligns along the b-axis: the first-principles calculations

Abstract

Double-perovskite A2BB'O6 oxides with magnetic B and B' ions and E*-type antiferromagnetic order (E*-AFM, i.e. the ++-- structure) are believed to exhibit promising multiferroic properties, and Y2CoMnO6 (YCMO) is one candidate in this category. However, the microscopic origins for magnetically induced ferroelectricity in YCMO remain unclear. In this work, we perform detailed symmetry analysis on the exchange striction effect and lattice distortion, plus the first-principles calculations on YCMO. The E*-AFM state as the ground state with other competing states such as ferromagnetic and A-antiferromagnetic orders is confirmed. It is revealed that the ferroelectricity is generated by the exchange striction associated with the E*-AFM order and chemically rdered Mn/Co occupation. Both the lattice symmetry consideration and first-principles calculations predict that the electric polarization aligns along the b-axis. The calculated polarization reaches up to 0.4682 uC/cm2, mainly from the ionic displacement contribution. The present work presents a comprehensive understanding of the multiferroic mechanisms in YCMO and is of general significance for predicting emergent multiferroicity in other double-perovskite magnetic oxides.

arXiv comment9 pages,8 figures, 2 tables

References in corpus (23)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Spin current and magneto-electric effect in non-collinear magnets
• Multiferroicity, The coupling between magnetic and polarization
• Role of the Dzyaloshinskii-Moriya interaction in multiferroic perovskites
• Magnetically driven ferroelectric order in Ni${}_3$V${}_2$O${}_8$
• Ferroelectricity in the Magnetic E-Phase of Orthorhombic Perovskites
• Octahedral rotation-induced ferroelectricity in cation ordered perovskites
• Dual nature of improper ferroelectricity in a magnetoelectric multiferroic
• Ferroelectricity in perovskite $HoMn{O}_3$ and $YMn{O}_3$
• Multiferroic behavior in the new double-perovskite Lu${}_2$MnCoO${}_6$
• Hybrid functional study of proper and improper multiferroics
• Theoretical prediction of multiferroicity in double perovskite Y${}_2$NiMnO${}_6$
• Ising magnetism and ferroelectricity in Ca${}_3$CoMnO${}_6$
• Recent Progress of Multiferroic Perovskite Manganites
• Magnetism driven ferroelectricity above liquid nitrogen temperature in Y2CoMnO6
• BaFe${}_2$Se${}_3$: a high $T_{\mathrm{C}}$ magnetic multiferroic with large ferrielectric polarization
• Magnetically-Driven Ferroelectric Atomic Displacements in perovskite like YMnO3
• Interplay between Jahn-Teller instability, uniaxial magnetism and ferroelectricity in Ca3CoMnO6
• First-principles stabilization of an unconventional collinear magnetic ordering in distorted manganites
• Antisite Disorder-induced Exchange Bias Effect in Multiferroic Y2CoMnO6
• Multicaloric effect in multiferroic Y2CoMnO6
• Metamagnetic behavior and effect of field cooling on sharp magnetization jumps in multiferroic Y2CoMnO6

Cited by in corpus (2)

• Multiferroic materials and magnetoelectric physics: symmetry, entanglement, excitation, and topology
• The effect of antisite disorder on magnetic and exchange bias properties of Gd-substituted Y${}_2$CoMnO${}_6$ double perovskite