1. Электронный научный архив УрФУ
  2. 00. Общеуниверситетские коллекции
  3. Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC
Пожалуйста, используйте этот идентификатор, чтобы цитировать или ссылаться на этот ресурс: http://elar.urfu.ru/handle/10995/141637
Название: Spin-orbit coupling induced orbital entanglement in a three-band Hubbard model
Авторы: Igoshev, P. A.
Chizhov, D. E.
Irkhin, V. Y.
Streltsov, S. V.
Дата публикации: 2024
Издатель: American Physical Society
Библиографическое описание: 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
Аннотация: 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.
Ключевые слова: 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
Условия доступа: info:eu-repo/semantics/openAccess
Идентификатор SCOPUS: 85204236165
Идентификатор WOS: 001361593900007
Идентификатор PURE: 63243359
ISSN: 2469-9950
2469-9969
DOI: 10.1103/PhysRevB.110.115110
Сведения о поддержке: 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.
Карточка проекта РНФ: 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
Располагается в коллекциях:Научные публикации ученых УрФУ, проиндексированные в SCOPUS и WoS CC

Файлы этого ресурса:
Файл Описание РазмерФормат 
2-s2.0-85204236165.pdf1,6 MBAdobe PDFПросмотреть/Открыть
Показать полное описание ресурса Статистика


Все ресурсы в архиве электронных ресурсов защищены авторским правом, все права сохранены.