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

Igoshev, P. A.; Chizhov, D. E.; Irkhin, V. Y.; Streltsov, S. V.

doi:10.1103/PhysRevB.110.115110

Please use this identifier to cite or link to this item: http://elar.urfu.ru/handle/10995/141637

Title:	Spin-orbit coupling induced orbital entanglement in a three-band Hubbard model
Authors:	Igoshev, P. A. Chizhov, D. E. Irkhin, V. Y. Streltsov, S. V.
Issue Date:	2024
Publisher:	American Physical Society
Citation:	Igoshev, P. A., Chizhov, D. E., Irkhin, V. Y., & Streltsov, S. V. (2024). Spin-orbit coupling induced orbital entanglement in a three-band Hubbard model. Physical Review B, 110(11). https://doi.org/10.1103/PhysRevB.110.115110
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 Sr2VO4 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. © 2024 American Physical Society.
Keywords:	ANTIFERROMAGNETISM EXCHANGE COUPLING HARTREE APPROXIMATION MAGNETIC MOMENTS QUANTUM ENTANGLEMENT SPIN ORBIT COUPLING STRONTIUM COMPOUNDS GROUND STATE PROPERTIES HARTREE-FOCK APPROXIMATIONS HUBBARD MICROSCOPIC PARAMETER OCTUPOLAR ORDER ORBITALS PROPERTY SINGLE ELECTRON SPIN-ORBIT COUPLINGS SQUARE LATTICES HUBBARD MODEL
URI:	http://elar.urfu.ru/handle/10995/141637
Access:	info:eu-repo/semantics/openAccess
SCOPUS ID:	85204236165
WOS ID:	001361593900007
PURE ID:	63243359
ISSN:	2469-9950 2469-9969
DOI:	10.1103/PhysRevB.110.115110
Sponsorship:	Ministry of Education and Science of the Russian Federation, Minobrnauka, (122021000038-7); Ministry of Education and Science of the Russian Federation, Minobrnauka; Russian Science Foundation, RSF, (23-42-00069); Russian Science Foundation, RSF S.V.S. thanks G. Khaliullin and K. Kugel for useful discussions and B. Kim and C. Franchini for unpublished estimates of Hubbard's and Hund's using cRPA for different models and for various stimulating communications. The research funding from the Ministry of Science and Higher Education of the Russian Federation (the state assignment, theme \u201CQuantum\u201D No. 122021000038-7) for implementation of generalized Hartree-Fock method in computer codes is acknowledged. The application of this treatment to perovskites is supported by the Russian Science Foundation, Project No. 23-42-00069.
RSCF project card:	Ministry of Education and Science of the Russian Federation, Minobrnauka, (122021000038-7); Ministry of Education and Science of the Russian Federation, Minobrnauka; 23-42-00069
Appears in Collections:	Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

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