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Polukeev, S. I.
Dependence of superexchange interaction in CrO2 on pressure / S. I. Polukeev, V. A. Gavrichkov, S. G. Ovchinnikov // 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.P19. - P. 103. - Cited References: 3. - 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; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Полукеев, Семен Игоревич; 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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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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Polukeev, S. I.
Dependence of superexchange interaction in CrO2 on pressure / S. I. Polukeev, V. A. Gavrichkov, S. G. Ovchinnikov // Международная зимняя школа физиков-теоретиков "Коуровка-XXXVIII" : тезисы докладов : Верхняя Сысерть, 23 - 29 февр. 2020 г. - Екатеринбург, 2020. - P. 70. - Cited References: 3. - Support by RSF grant № 18-12-00022 is acknowledged . - ISBN 978-5-9500855-9-8

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Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Полукеев, Семен Игоревич; Институт физики металлов им. М. Н. Михеева Уральского отделения РАН; Институт электрофизики УрО РАН; Международная зимняя школа физиков-теоретиков "Коуровка"(38 ; 2020 ; 23-29 февраля ; Верхняя Сысерть, Свердловская обл.); "Коуровка", международная зимняя школа физиков-теоретиков(38 ; 2020 ; февр. ; Верхняя Сысерть, Свердловская обл.)
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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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Sofronova, S. N.
Super-Superexchange Influence on Magnetic Ordering in Ni3B2O6 Kotoite / S. N. Sofronova, I. I. Nazarenko // Phys. Status Solidi B. - 2019. - Vol. 256, Is. 10. - Ст. 1900060, DOI 10.1002/pssb.201900060. - Cited References: 22. - The study was carried out with the financial support of the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory, the Krasnoyarsk Regional Science Foundation as part of a research project: “Low-dimensional and frustrated magnetism in nickel oxyborates and manganites with the substitution of manganese by Yang-Teller ions,” No. 18-42-240007. . - ISSN 0370-1972
Кл.слова (ненормированные):
borates -- computational physics -- crystal structure -- density functional theory -- dow dimensional structures -- magnetic materials -- solid solutions
Аннотация: Using ab initio software package WIEN2k, the calculations of electronic propertiesand of the energies of various magnetically ordered structures are carried out and possible mechanisms of magnetic ordering are analyzed in Ni3B2O6. The superexchange (Ni-O-Ni) and super-superexchange interactions (Ni-O-B-O-Ni) are calculated, a magnetic ordering model is proposed.

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Держатели документа:
Kirensky Institute of Physics of Federal Research Center KSC Siberian Branch Russian Academy of Sciences, Akademgorodok, 50, Building No. 38, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Nazarenko, I. I.; Назаренко, Илья Иванович; Софронова, Светлана Николаевна
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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.
Superexchange in 2D perovskite HTSC with stripe nanostructure / V. A. Gavrichkov // International conference "Functional materials" : book of abstracts / ed. V. N. Berzhansky ; org. com. S. G. Ovchinnikov [et al.]. - Simferopol, 2021. - P. 223-2224. - Библиогр.: 3 назв. - The reported study was supported by the grant RFFI 19-02-00034 and the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, and Krasnoyarsk Regional Fund of Science according to the research project ”Studies of superexchange and electron-phonon interactions in correlated systems as a basis for searching for promising functional materials No. 20-42-240016.

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Доп.точки доступа:
Berzhansky, V. N. \ed.\; Бержанский, Владимир Наумович; Ovchinnikov, S. G. \org. com.\; Овчинников, Сергей Геннадьевич; 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.
    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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Polukeev, S. I.
Exchange interaction in LaCoO3 between cobalt ions Co3+ in different spin states / S. I. Polukeev, V. A. Gavrichkov, S. G. Ovchinnikov // Phys. Solid State. - 2022. - Vol. 64, Is. 12. - P. 1887-1890, DOI 10.21883/PSS.2022.12.54381.426. - Cited References: 38. - The work was carried out with the financial support of the Russian Foundation for Basic Research (project No. 20-42-240016) . - ISSN 1063-7834. - ISSN 1090-6460
Кл.слова (ненормированные):
superexchange interaction -- magnetic structure -- Hubbard model -- projection operator method -- exchange loop
Аннотация: The values and signs of the contributions to the superexchange interaction of Co3+ ions in LaCoO3 in different spin states, namely, the superexchange of a pair of ions in the intermediate (IS) state and the superexchange of a pair of ions, one of which is in the intermediate state and the other in the high-spin (HS) state, are studied. For this purpose, virtual electron-hole pairs produced in the course of superexchange (the so-called exchange loops) have been studied within the framework of a multiband generalization of the Hubbard model. It is shown that the cobalt ions in the intermediate state are ordered ferromagnetically, while a pair of ions in different HS and IS states makes an AFM contribution to the superexchange.

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Публикация на русском языке Полукеев, Семен Игоревич. Обменное взаимодействие в LaCoO3 между ионами кобальта Co3+ в различных спиновых состояниях [Текст] / С. И. Полукеев, В. А. Гавричков, С. Г. Овчинников // Физ. тверд. тела. - 2022. - Т. 64 Вып. 12. - С. 1916-1919

Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Полукеев, Семен Игоревич
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10.

Sofronova, S. N.
Magnetic ordering and the role of superexchange Ni–O–B–O–Ni upon the formation of magnetic order in ludwigite Ni2MnBO5 from first-principal calculations / S. Sofronova, A. Chernyshev // Comput. Condens. Matter. - 2024. - Vol. 40. - Ст. e00918, DOI 10.1016/j.cocom.2024.e00918. - Cited References: 28 . - ISSN 2352-2143
Кл.слова (ненормированные):
Exchange interactions -- Magnetic order -- Ferrimagnets -- Non-collinear ordering -- Superexchange interactions
Аннотация: The energies of various magnetically ordered structures for ludwigite Ni2MnBO5 have been calculated in the framework of the first-principles approach using the Wien2K program package, with the parameters of exchange interactions being determined. Two subsystems can be distinguished in the magnetic system, which are associated with the triads 4-2-4 and 3-1-3. The magnetic moments of the ions in both triads are antiferromagnetically oriented. The analysis of the exchange contribution to the energy shows that there occurs an increase of the magnetic cell relative to the crystallographic one due to antiferromagnetic ordering of the magnetic moments along the c axis in three-legged ladders formed by 4-2-4 triads. However, in three-legged ladders formed by 3-1-3 triads, the magnetic moments of the ions are ordered along the c-axis ferromagnetically. The predicted type of magnetic ordering in Ni2MnBO5 is similar to magnetic ordering in Fe3BO5. Non-collinear ordering of the magnetic moments of the subsystems at different temperatures is also likely to be observed in Ni2MnBO5, as is the case in Fe3BO5. Superexchange (indirect) interactions (No-O-B-O-Ni) influence the orientation of the magnetic moments of two 3-1-3 (4-2-4) triads within the unit cell. It is these interactions that may be responsible for the formation of long-range magnetic order in Co3BO5 and ferrimagnetic-antiferromagnetic spin-reorientation transition in Fe3BO5.

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Держатели документа:
Kirensky Institute of Physics of the Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Chernyshev, A.; Чернышев, Артем Валерьевич; Софронова, Светлана Николаевна
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