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arxiv 1912.13274 v3 pith:SNNWTNHJ submitted 2019-12-31 cond-mat.str-el cond-mat.mtrl-sciphysics.chem-ph

Ferromagnetic kinetic exchange interaction in magnetic insulators

classification cond-mat.str-el cond-mat.mtrl-sciphysics.chem-ph
keywords magneticferromagnetickineticantiferromagneticbridgingdiamagneticexchangeinteraction
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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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.

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