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Exchange interaction between excited states of magnetic ions / S. G. Ovchinnikov, V. A. Gavrichkov, S. I. Polukeev, A. V. Malakhovskii // Euro-asian symposium "Trends in magnetism" (EASTMAG-2019) : Book of abstracts / чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.] ; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. - Vol. 2. - Ст. H.I1. - P. 36-37. - Cited References: 8. - Support by RSF grant 18-12-00022 is acknowledged . - ISBN 978-5-9500855-7-4

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Ovchinnikov, S. G. \чл. конс. ком.\; Овчинников, Сергей Геннадьевич; Volkov, N. V. \чл. конс. ком.\; Волков, Никита Валентинович; Dzebisashvili, D. M. \чл. прогр. ком.\; Дзебисашвили, Дмитрий Михайлович; Ovchinnikov, S. G.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Polukeev, S. I.; Полукеев, Семен Игоревич; Malakhovskii, A. V.; Малаховский, Александр Валентинович; Российская академия наук; Уральское отделение РАН; Институт физики металлов им. М. Н. Михеева Уральского отделения РАН; Уральский федеральный университет им. первого Президента России Б.Н. Ельцина; Российский фонд фундаментальных исследований; Euro-Asian Symposium "Trends in MAGnetism"(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg); "Trends in MAGnetism", Euro-Asian Symposium(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg)
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    Exchange Interaction between the Excited States of Magnetic Ions / S. G. Ovchinnikov [et al.] // Phys. Metals Metallogr. - 2019. - Vol. 120, Is. 13. - P. 91-94, DOI 10.1134/S0031918X19130210. - Cited References: 11. - This work was supported by the Russian Science Foundation, project no. 18-12-00022. . - ISSN 0031-918X. - ISSN 1555-6190
   Перевод заглавия: Обменное взаимодействие между магнитными ионами в возбужденном состоянии
Кл.слова (ненормированные):
exchange interaction -- spin crossover -- exchange in an excited state
Аннотация: Within the framework of the LDA + GTB multi-electron approach to the electron structure of Mott–Hubbard insulators a scheme is developed for constructing the effective low-energy Hamiltonian that includes not only the ground state of the magnetic cation, but also the excited terms. The mathematical apparatus of the theory are Hubbard operators built on the many-electron states of the cation in the dn configuration. The occupation of the excited term under optical pumping can change the sign of the exchange interaction of the excited cation with the neighboring cation in the ground state. Another variant of the occupation of the excited states is connected with a spin crossover when the excited and the ground terms change over, for example, at high pressure. Examples are given for such crystals as FeBO3, Nd0.5Gd0.5Fe3(BO3)4 and NiO.

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Держатели документа:
L.V. Kirensky Institute of Physics of SB of RAS, Krasnoyarsk, 660036 Russia

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Polukeev, S. I.; Полукеев, Семен Игоревич; Malakhovskii, A. V.; Малаховский, Александр Валентинович
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    Gavrichkov, V. A.
    Cation spin and superexchange interaction in oxide materials below and above spin crossover under high pressure / V. A. Gavrichkov, S. I. Polukeev, S. G. Ovchinnikov. - Electronic text data // ArXiv. - 2019. - Ст. 1911.06482. - Cited References: 63. - We acknowledge the support of the Russian Science Foundation through Grant 18-12-00022.
Рубрики:
Materials Science
   Strongly Correlated Electrons
Аннотация: We derived simple rules for the sign of superexchange interaction based on the multielectron calculations of the superexchange interaction in the transition metal oxides that are valid both below and above spin crossover under high pressure. The superexchange interaction between two cations in dn configurations is given by a sum of individual contributions related to the electron-hole virtual excitations to the different states of the dn+1 and dn−1 configurations. Using these rules, we have analyzed the sign of the superexchange interaction of a number of oxides with magnetic cations in electron configurations from d2 till d8: the iron, cobalt, chromium, nickel, copper and manganese oxides with increasing pressure. The most interesting result concerns the magnetic state of cobalt and nickel oxides CoO, Ni2O3 and also La2CoO4, LaNiO3 isostructural to well-known high-TC and colossal magnetoresistance materials. These oxides have a spin 12 at the high pressure. Change of the interaction from antiferromagnetic below spin crossover to ferromagnetic above spin crossover is predicted for oxide materials with cations in d5(FeBO3) and d7(CoO) configurations, while for materials with the other dn configurations spin crossover under high pressure does not change the sign of the superexchange interaction.

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Держатели документа:
Kirensky Institute of Physics, Akademgorodok 50, bld.38, Krasnoyarsk, 660036 Russia

Доп.точки доступа:
Polukeev, S. I.; Полукеев, Семен Игоревич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович
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Gavrichkov, V. A.
Cation spin and superexchange interaction in oxide materials below and above spin crossover under high pressure / V. A. Gavrichkov, S. I. Polukeev, S. G. Ovchinnikov // Phys. Rev. B. - 2020. - Vol. 101, Is. 9. - Ст. 094409, DOI 10.1103/PhysRevB.101.094409. - Cited References: 65. - We acknowledge the support of the Russian Science Foundation through Grant No. 18-12-00022 . - ISSN 2469-9950. - ISSN 2469-9969

РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter
Рубрики:
EXCHANGE INTERACTION
   PHASE-TRANSITIONS
   STATE
   ELECTRON
   IRON
Аннотация: We derived simple rules for the sign of 180° superexchange interaction based on the multielectron calculations of the superexchange interaction in the transition metal oxides that are valid both below and above spin crossover under high pressure. The superexchange interaction between two cations in dn configurations is given by a sum of partial contributions related to the electron-hole virtual excitations to the different states of the dn+1 and dn−1 configurations. Using these rules, we have analyzed the sign of the 180° superexchange interaction of a number of oxides with magnetic cations in electron configurations from d2 until d8: the iron, cobalt, chromium, nickel, copper, and manganese oxides with increasing pressure. The most interesting result concerns the magnetic state of cobalt and nickel oxides CoO, Ni2O3 and also La2CoO4, LaNiO3 isostructural to well-known high-TC and colossal magnetoresistance materials. These oxides have a spin 12 at the high pressure. Change of the interaction from antiferromagnetic below spin crossover to ferromagnetic above spin crossover is predicted for oxide materials with cations in d5(FeBO3) and d7(CoO) configurations, while for materials with the other dn configurations spin crossover under high pressure does not change the sign of the 180∘ superexchange interaction.

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Держатели документа:
Kirensky Inst Phys, Akadeingorodok 50,Bld 38, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Polukeev, S. I.; Полукеев, Семен Игоревич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович; Russian Science FoundationRussian Science Foundation (RSF) [18-12-00022]
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Gavrichkov, V. A.
Contribution from optically excited many-electron states to the superexchange interaction in Mott-Hubbard insulators / V. A. Gavrichkov, S. I. Polukeev, S. G. Ovchinnikov // Phys. Rev. B. - 2017. - Vol. 95, Is. 14. - Ст. 144424, DOI 10.1103/PhysRevB.95.144424. - Cited References: 49. - This work was supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory and Krasnoyarsk Region Science and Technology Support Fund to the research Project No. 17-42-240212. We are also grateful to the RFBR Grants No. 16-02-00273, No. 16-02-00098, and No. NSh-7559.2016.2. . - ISSN 1098-0121
Аннотация: We investigated the effects of excited many-electron states in the optical control of the magnetic state in undoped Mott-Hubbard insulator. To derive the spin Hamiltonian in material under optical pumping one has used a many-electron approach based on the X-operator representation. Extending the projection operators approach on arbitrary energy spectra of the Mott-Hubbard insulator, we obtained the Hamiltonian of superexchange interaction in analytical form. The Hamiltonian includes the spin-exciton variables which are usually missing in discussion on the magnetic response to optical pumping. The superexchange is also not additive over contributions from the ground and optical excited states, and nonzero contributions to the Dzyaloshinskii-Moriya interaction are induced in insulators with different spins at the ground and excited cell states. As a test, a microscopic background for the optical induced superexchange was analyzed in La2CuO4 (further La214) and FeBO3 with spins 1/2 and 5/2, respectively. © 2017 American Physical Society.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
National Research Nuclear University MEPHI, Moscow Engineering Physics Institute, Moscow, Russian Federation

Доп.точки доступа:
Polukeev, S. I.; Полукеев, Семен Игоревич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович
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Gavrichkov, V. A.
Exchange interaction under optical pumping and ultrahigh pressure in magnetic insulators / V. A. Gavrichkov, S. I. Polukeev, S. G. Ovchinnikov // International conference "Functional materials" : book of abstracts / ed. V. N. Berzhansky ; org. com. S. G. Ovchinnikov [et al.]. - Simferopol, 2021. - P. 10. - Библиогр.: 6 назв. - We are thankful to the RSF for a financial support under the project No. 18-12-00022 P

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Доп.точки доступа:
Berzhansky, V. N. \ed.\; Бержанский, Владимир Наумович; Ovchinnikov, S. G. \org. com.\; Овчинников, Сергей Геннадьевич; Polukeev, S. I.; Ovchinnikov, S. G.; Гавричков, Владимир Александрович; "Functional materials", International conference(2021 ; Oct. 4-8 ; Alushta, Russia); Крымский федеральный университет имени В.И. Вернадского
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Gavrichkov, V. A.
Lattice source for charge and spin inhomogeneity in 2D perovskite cuprates / V. A. Gavrichkov, S. I. Polukeev // Phys. B: Condens. Matter. - 2024. - Vol. 673. - Ст. 415457, DOI 10.1016/j.physb.2023.415457. - Cited References: 31. - We acknowledge the support of the Russian Science Foundation through grant RSF No. 22-22-00298 . - ISSN 0921-4526. - ISSN 1873-2135
Кл.слова (ненормированные):
Charge inhomogeneity -- Jahn–Teller (pseudo-) effect -- Doped 2D perovskite cuprates -- Phonon chirality
Аннотация: In the work we highlight the structural features of 2D perovskite cuprates (tilted CuO6 octahedra with different orientation with respect to spacer rocksalt layers), where sources of charge and spin inhomogeneity can be hidden. We used the impurity Anderson model with the Jahn–Teller(JT) local cells to show the charge inhomogeneity arises at any low doping concentration x, but disappears when the doping level exceeds threshold concentration xc, and the smaller the magnitudes xc, the larger the area of regions with JT pseudo effect. It is expected that spontaneous chiral symmetry breaking in the dynamic JT state of the stripe CuO2 layer as a whole can lead to the appearance of the goldstone phonon mode. As consequence, the giant thermal Hall effect could be observed in the 2D perovskite cuprates with CuO6 octahedra, rather than with CuO4 squares, e.g. in the Tl-based n layer cuprates or cuprates based on infinite-layer CaCuO2 structure.

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Держатели документа:
L. V. Kirensky Institute of Physics, Siberian Branch of Russian Academy of Sciences, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Polukeev, S. I.; Полукеев, Семен Игоревич; Гавричков, Владимир Александрович
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    Gavrichkov, V. A.
    Magnetic interaction in doped 2D perovskite cuprates with nanoscale inhomogeneity: Lattice nonlocal effects vs. superexchange / V. A. Gavrichkov, S. I. Polukeev // Condens. Matter. - 2022. - Vol. 7, Is. 4. - Ст. 57, DOI 10.3390/condmat7040057. - Cited References: 78. - This work was supported by the Russian Science Foundation, research grant RSF No.22-22-00298 . - ISSN 2410-3896
   Перевод заглавия: Магнитное взаимодействие в допированных 2d перовскитах с наноразмерной неоднородностью: решеточные нелокальные эффекты против суперобмена
Кл.слова (ненормированные):
superexchange interaction -- nanoscale inhomogeneity -- doped 2D perovskite cuprates
Аннотация: We have studied the superexchange interaction Jij in doped 2D cuprates. The AFM interaction strongly depends on the state of the lattice of a CuO2 layer surrounded by two LaO rock salt layers. In a static U and D stripe nanostructure, the homogeneous AFM interaction is impossible due to the U/D/U… periodic stripe sequence and TN=0. In a dynamic stripe nanostructure, the ideal CuO2 layer with nonlocal effects and the homogeneous AFM interaction are restored. However, the interaction Jij decreases by the exponential factor due to partial dynamic quenching. The meaning of the transition from the dynamic to the static cases lies in the spontaneous θ-symmetry breaking with respect to the rotation of all the tilted CuO6 octahedra by an orientation angle δθ=n⋅(45°) (where n=1÷4) in the U and D stripe nanostructure of the CuO2 layer. Moreover, the structural features help to study various experimental data on the charge inhomogeneity, Fermi level pinning in the p type cuprates only and time reversal symmetry breaking from a unified point of view.

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Держатели документа:
Kirensky Institute of Physics, Akademgorodok 50, building 38, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Polukeev, S. I.; Полукеев, Семен Игоревич; Гавричков, Владимир Александрович
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Gavrichkov, V. A.
Magnetic interaction in doped 2D perovskites with nanoscale inhomogenety: lattice nonlocal effects vs superexchange / V. A. Gavrichkov, S. I. Polukeev // XIX Конференция "Сильно коррелированные электронные системы и квантовые критические явления" : сборник тезисов / чл. прогр. ком. С. Г. Овчинников и др. - Москва, 2022. - P. 194-196. - Библиогр.: 1 . - ISBN 978-5-4344-0954-4

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Доп.точки доступа:
Овчинников, Сергей Геннадьевич \чл. прогр. ком.\; Ovchinnikov, S. G.; Polukeev, S. I.; Гавричков, Владимир Александрович; "Сильно коррелированные электронные системы и квантовые критические явления", конференция(19 ; 2022 ; 26 мая ; Москва); Российская академия наук; Физический институт им. П.Н. Лебедева РАН
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10.

Gavrichkov, V. A.
Superexchange interaction in magnetic insulators with spin crossover / V. A. Gavrichkov, S. I. Polukeev, S. G. Ovchinnikov // J. Exp. Theor. Phys. - 2018. - Vol. 127, Is. 4. - P. 713-720, DOI 10.1134/S1063776118100023. - Cited References: 34. - This work was supported by the Russian Science Foundation (project no. 18-12-00022). . - ISSN 1063-7761
Кл.слова (ненормированные):
Antiferromagnetism -- Ground state -- High pressure engineering -- Ions -- Iron compounds -- Magnetic materials
Аннотация: We present the derivation of a microscopic superexchange Hamiltonian for undoped magnetic insulators with an arbitrary spin. It is established that the sign of the (ferromagnetic or antiferromagnetic) superexchange between magnetic ions in the dn configuration depends on the spin nature of virtual multielectron states dn± 1, viz., low-spin or high-spin partners with S ± 1/2 relative to ground state of the dn configuration with spin S. A macroscopic substantiation is given for the Goodenough–Kanamori rules and simple mean-field estimates connecting the magnetic ordering temperature with the exchange constant. The conventional Anderson superexchange for magnetic materials with spin S = 1/2 and the P/T magnetic phase diagram for ferroborate FeBO3 with spin crossover S = (5/2 ↔ 1/2) at the Fe3+ ion under a high pressure are also reproduced as a test.

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Публикация на русском языке Гавричков, Владимир Александрович. Суперобменное взаимодействие в магнитных диэлектриках со спиновым кроссовером [Текст] : статья / В. А. Гавричков, С. И. Полукеев, С. Г. Овчинников // Журн. эксперим. и теор. физ. - 2018. - Т. 154 Вып. 4. - С. 835-843

Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Polukeev, S. I.; Полукеев, Семен Игоревич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович
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