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arXiv · 1805.03733

Nature of the Magnetic Interactions in Sr$_3$NiIrO$_6$

Turan Birol·Kristjan Haule·David Vanderbilt
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Abstract

Iridates abound with interesting magnetic behaviours because of their strong spin-orbit coupling. Sr$_3$NiIrO$_6$ brings together the spin-orbital entanglement of the Ir$^{4+}$ ion with a 3$d$ Ni cation and a one-dimensional crystal structure. It has a ferrimagnetic ground state with a 55 T coercive field. We perform a theoretical study of the magnetic interactions in this compound, and elucidate the role of anisotropic symmetric exchange as the source of its strong magnetic anisotropy. Our first-principles calculations reproduce the magnon spectra of this compound and predict a signature in the cross sections that can differentiate the anisotropic exchange from single-ion anisotopy.

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Turan Birol, Kristjan Haule, David Vanderbilt. 2018-05-09. Nature of the Magnetic Interactions in Sr$_3$NiIrO$_6$. https://doi.org/10.1103/physrevb.98.134432

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