Ferromagnetic kinetic exchange interaction in magnetic insulators

Abstract

The superexchange theory predicts dominant antiferromagnetic kinetic interaction when the orbitals accommodating magnetic electrons are covalently bonded through diamagnetic bridging atoms/groups. Here we show that explicit consideration of magnetic and (leading) bridging orbitals, together with the electron transfer between the former, reveals a strong ferromagnetic kinetic exchange contribution. First principle calculations show that it is comparable in strength with antiferromagnetic superexchange in a number of magnetic materials with diamagnetic metal bridges. In particular, it is responsible for a very large ferromagnetic coupling ($-10$ meV) between the iron ions in a Fe${}^{3+}$-Co${}^{3+}$-Fe${}^{3+}$ complex.

arXiv commentMain text: 13 pages, 8 figures

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• $\text{Ab initio}$ theory of magnetism in two-dimensional $1T$-TaS${}_2$
• Ab initio Derivation of Low-Energy Hamiltonians for Systems with Strong Spin-Orbit Interaction and Its Application to Ca5Ir3O12
• Multipolar exchange interaction and complex order in insulating lanthanides
• Material-based analysis of spin-orbital Mott insulators
• Breakdown of broken-symmetry approach to exchange interaction