Intrinsic Role Of Up Arrow Up Arrow Down Arrow Down Arrow-Type Magnetic Structure On Magnetoelectric Coupling In Y2nimno6

Structure-property correlations are a major challenge in the investigation of magnetoelectric multiferroic materials. We have systematically investigated the intrinsic role of up arrow up arrow down arrow down arrow -type order in magnetoelectric coupling in Y2NiMnO6. The calculated results reveal that the ferromagnetic (FM) order is the magnetic structure of the ground state and the total energy of up arrow up arrow down arrow down arrow -type order is close to that of the FM order. The electric polarization is calculated to be 0.78 mu C/cm(2) along the crystallographic b-axis for U-Ni = U-Mn = 3eV. In addition to the exchange-striction mechanism, a more noticeable contribution from redistribution of polarized charge is found in our study. Magnetic hysteresis loops show the ferromagnetism in Y2NiMnO6, which can be explained by magnetic field-induced spin flop transition from the E-type to FM order. Our DFT + U theoretical investigations also proposed a switching adiabatic path of magnetoelectric coupling, in which the 180 degrees reverse of electric polarization is driven by rotation of spins.