Multiferroic kinks and spin-flop transition in Ni2InSbO6 from first principles

Magnetoelectric multiferroics are key materials for next-generation spintronic devices due to their entangled magnetic and ferroelectric properties. Spiral multiferroics possess ferroelectric polarization and are particularly promising for electric control of magnetism and magnetic control of ferroelectricity. In this work, we uncover long-period incommensurate states characterized by unique multiferroic kinks in corundum nickelate Ni2InSbO6, a member of a promising family of polar magnets. Utilizing a 2-orbital S = 1 model, we derive formulas for Heisenberg and anisotropic magnetic exchanges and magnetically-induced polarization, enabling their calculations from first principles. We use these parameters in Monte Carlo and Landau theory-based calculations to reproduce experimentally observed magnetic structures and polarization dependence on the magnetic field. We predict magnetic phase transitions between flat spiral, conical spiral, canted antiferromagnetic and ferromagnetic states under increasing magnetic fields. Kinks in the spiral phases repel each other through a Yukawa-like potential arising from exchange of massive magnons. We also find that suitably directed electric fields can be used to stabilize the ferromagnetic and spiral states. The findings open a new pathway to predictive first-principles modelling of multiferroics and will inspire experiments and technological applications based on multiferroic kinks.