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arXiv · 2406.07386

Spin-orbit coupling induced orbital entanglement in a three-band Hubbard model

Petr A. Igoshev·Danil E. Chizhov·Valentin Yu. Irkhin·Sergey V. Streltsov
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Abstract

The effect of the spin-orbit coupling on the ground state properties of the square-lattice three-band Hubbard model with a single electron per site is studied by a generalized Hartree-Fock approximation. We calculate the full phase diagram and show that there appear additional orbital-entangled phases brought about by competition of various exchange channels or by the spin-orbit coupling in addition to conventional states stabilized by the Kugel-Khomskii mechanism. One of these phases previously proposed to explain magnetic properties of Sr$_2$VO$_4$ is characterized by vanishing dipolar magnetic moments and antiferro-octupolar ordering. We calculated microscopic parameters for this material and demonstrate that it is located near a phase boundary of two orbital-entangled and two conventional antiferromagnetic ferro-orbital states.

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Petr A. Igoshev, Danil E. Chizhov, Valentin Yu. Irkhin, Sergey V. Streltsov. 2024-06-11. Spin-orbit coupling induced orbital entanglement in a three-band Hubbard model. https://doi.org/10.1103/physrevb.110.115110

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