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1.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Nikolaev S. V., Kuz'min V. I., Ovchinnikov S. G.
Заглавие : Anomalous spectral properties of high-Tc cuprates: influence of short-range correlations
Коллективы : Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Research Institute of Agriculture and Ecology of the Arctic, Siberian Federal Univercity
Место публикации : International school/workshop on actual problems of condensed matter physics: Program. Book of abstracts/ ed. S. G. Ovchinnikov. - Norilsk, 2018. - P.21. - ISBN 978-5-904603-08-3
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2.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kuz'min V. I., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Anomalous spectral properties of strongly correlated systems within the cluster perturbation theory
Коллективы : 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", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : 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.I.P9. - P.151-152. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 4. - The reported study was funded by Russian Foundation for Basic Research (RFBR) according to the research project no. 18-32-00256, RFBR and Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project: “18-42-240017 Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations” and the research project: “18-42-243004 New thermoelectric materials based on multi-scale spatially inhomogeneous substituted rare-earth cobalt oxides and the Ruddlesden-Popper phases”
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3.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kuz'min V. I., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Anomalous spectral properties of strongly correlated systems within the cluster perturbation theory
Коллективы : 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", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : 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.I.P9. - P.151-152. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 4. - The reported study was funded by Russian Foundation for Basic Research (RFBR) according to the research project no. 18-32-00256, RFBR and Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project: “18-42-240017 Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations” and the research project: “18-42-243004 New thermoelectric materials based on multi-scale spatially inhomogeneous substituted rare-earth cobalt oxides and the Ruddlesden-Popper phases”
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4.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Korshunov M. M., Nikolaev S. V., Togushova Yu. N.
Заглавие : Cluster perturbation approach to iron-based superconductors
Коллективы : Quantum in Complex Matter: Superconductivity, Magnetism and Ferroelectricity, International conference
Место публикации : Quant. in Complex Matter: Supercond., Magnet. and Ferroelectr.: book of abstracts/ ed. A. Bianconi. - Rome, 2016. - P.148. - ISBN 978-88-6683-055-9
Примечания : References: 8. - This work was partially supported by the RFBR (grant 16-02-00098)
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuz'min V. I., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Comparison of the electronic structure of the Hubbard and t - J models within the cluster perturbation theory
Коллективы : RFBR [13-02-01395-a, 14-02-31677-mol-a, 14-02-00186-a]; Ministry of Education and Science of Russia [3085, SibFU 2014 GF-2]; [NSh-2886.2014.2]
Место публикации : Phys. Rev. B: American Physical Society, 2014. - Vol. 90, Is. 24. - Ст.245104. - ISSN 1098-0121, DOI 10.1103/PhysRevB.90.245104. - ISSN 1550-235X
Примечания : Cited References: 37. - This work is supported by RFBR (Grants No. 13-02-01395-a, No. 14-02-31677-mol-a, and No. 14-02-00186-a), the Ministry of Education and Science of Russia (Government Contract No. 3085, SibFU 2014 GF-2), and a grant of the Russian President (Grant No. NSh-2886.2014.2).
Предметные рубрики: FERMION SYSTEMS
SUPERCONDUCTIVITY
METAL
Аннотация: Electronic dispersion and density of states (DOS) have been calculated for the Hubbard model and the t−J and t−J∗ models with three-site correlated hopping by the cluster perturbation theory. We have found a rather strong quantitative difference both in dispersion and DOS at all doping for the Hubbard and t−J models at the energy scale ω≳t. The three-site correlated hopping addition results in an almost negligible difference for the Hubbard and t−J∗ models. Close to the Fermi energy, at the scale ω≲J, the electronic structure of all three models is similar. We have found the line of zeros of the Green function for the t−J model that has been previously obtained for the Hubbard model by cellular dynamical mean-field theory calculations.
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6.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kuz'min V. I., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Comparison of the electronic structure of the Hubbard and t-J models within the cluster perturbation theory
Коллективы : "Фундаментальные проблемы высокотемпературной сверхпроводимости", Международная конференция, Российская академия наук, Физический институт им. П.Н. Лебедева РАН, Научный совет по физике конденсированного состояния РАН, Научный совет по физике низких температур РАН
Место публикации : Пятая Междунар. конф. "Фундаментал. проблемы высокотемператур. сверхпроводимости" (ФПС’15): сборник расширенных тезисов. - М.: ФИАН, 2015. - Ст.M7. - С. 58-59
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7.

Вид документа : Статья из журнала (Препринт)
Шифр издания :
Автор(ы) : Kuz'min V. I., Visotin M. A., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Doping and temperature evolution of pseudogap and spin-spin correlations in the two-dimensional Hubbard model [Electronic resource]
Место публикации : ArXiv. - 2020. - Ст.2001.05143
Вид и объем ресурса: Electronic text data
Примечания : Cited References: 86. - The reported study was funded by RFBR according to the research project No. 18-32-00256 (all the results concerning the influence of short-range correlations on the electronic spectral properties). The reported study was also funded by Russian Foundation for Basic Research and Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects “Electronic correlation effects and multiorbital physics in iron-based materials and cuprates” number 19-42-240007, and “Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations” number 18-42-240017
Предметные рубрики: Strongly Correlated Electrons
Аннотация: Cluster perturbation theory is applied to the two-dimensional Hubbard t−t′−t′′−U model to obtain doping and temperature dependent electronic spectral function with 4×4 and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I like electronic dispersion becomes more pronounced, the Fermi arc turns into large Fermi surface and the pseudogap closes. It is demonstrated how static spin correlations impact the overall dispersion's shape and how accounting for dynamic contributions leads to momentum-dependent spectral weight at the Fermi surface and broadening effects.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuz'min V. I., Visotin M. A., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Doping and temperature evolution of pseudogap and spin-spin correlations in the two-dimensional Hubbard model
Коллективы : RFBRRussian Foundation for Basic Research (RFBR) [18-32-00256, 18-32-01062]; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR); Government of Krasnoyarsk Territory; Krasnoyarsk Regional Fund of Science [19-42-240007, 18-42-240017]
Место публикации : Phys. Rev. B. - 2020. - Vol. 101, Is. 11. - Ст.115141. - ISSN 2469-9950, DOI 10.1103/PhysRevB.101.115141. - ISSN 2469-9969(eISSN)
Примечания : Cited References: 97. - The reported study was funded by RFBR according to Research Project No. 18-32-00256 (all the results concerning the influence of short-range correlations on the electronic spectral properties). The reported study was also funded by RFBR according to Research Project No. 18-32-01062; the Russian Foundation for Basic Research and Government of Krasnoyarsk Territory, the Krasnoyarsk Regional Fund of Science to the Research Projects "Electronic correlation effects and multiorbital physics in iron-based materials and cuprates" No. 19-42-240007 and "Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations" No. 18-42-240017.
Предметные рубрики: QUASI-PARTICLE DISPERSION
FERMI-SURFACE
QUANTUM OSCILLATIONS
LANCZOS METHOD
Аннотация: Cluster perturbation theory is applied to the two-dimensional Hubbard t - t' - t '' - U model to obtain doping and temperature-dependent electronic spectral function with 4 x 4 and 12-site clusters. It is shown that evolution of the pseudogap and electronic dispersion with doping and temperature is similar and in both cases it is significantly influenced by spin-spin short-range correlations. When short-range magnetic order is weakened by doping or temperature and Hubbard-I-like electronic dispersion becomes more pronounced, the Fermi arc turns into a large Fermi surface and the pseudogap closes. It is demonstrated how static spin correlations impact the overall dispersion's shape and how accounting for dynamic contributions leads to momentum-dependent spectral weight at the Fermi surface and broadening effects.
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuz'min V. I., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Effect of canted antiferromagnetic order on the electronic structure in the t–J* model within the cluster perturbation theory
Место публикации : J. Exp. Theor. Phys.: Maik Nauka-Interperiodica Publishing, 2016. - Vol. 123, Is. 3. - P.511-519. - ISSN 10637761 (ISSN), DOI 10.1134/S1063776116090065
Примечания : Cited References: 50. - We are grateful to V.V. Val’kov for stimulating discussions. This work was supported by the Russian Science Foundation (project no. 14-12-00061)
Ключевые слова (''Своб.индексиров.''): antiferromagnetism--electronic structure--high temperature superconductors--magnetic fields--antiferromagnetic orderings--cluster perturbation theories--electron-doping--external fields--external magnetic field--non-monotonic dependence--short-range correlations--spectral weight--perturbation techniques
Аннотация: The electronic structure in the two-dimensional t–J* model with canted antiferromagnetic order in an external magnetic field has been calculated within the cluster perturbation theory. In zero external field, the evolution of the Fermi surface with n-type doping has been obtained in good agreement with experimental data on cuprate superconductors. It has been shown that the inclusion of short-range correlations can result in a nonmonotonic dependence of the spectral weight distribution at the Fermi level on the external magnetic field. In contrast to the case of electron doping, such changes in the case of hole doping can be expected at experimentally achievable fields. © 2016, Pleiades Publishing, Inc.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Nikolaev S. V., Dudnikov V. A.
Заглавие : Effect of crystal field on the electronic structure of the two-band hubbard model with spin crossover
Место публикации : J. Exp. Theor. Phys. - 2020. - Vol. 130, Is. 5. - P.699-710. - ISSN 10637761 (ISSN), DOI 10.1134/S106377612004007X
Примечания : Cited References: 23. - This work was supported by the “BASIS” Foundation for Developing Theoretical Physics and Mathematics, the Russian Foundation for Basic Research (project no. 19-03-00017), the Krasnoyarsk Krai Administration, the Krasnoyarsk Krai Science Foundation under research project no. 18-42-243004 “New thermoelectric materials based on multiscale spatially heterogeneous substituted rare-earth cobalt oxides and Ruddlesden–Popper phases”
Аннотация: We consider the change in the electronic structure of the two-band Hubbard model in the regime of strong electron correlations with spin crossover upon the passage through the crossover point depending on the crystal field growth. An abrupt semimetal–insulator–semimetal transition is detected during the passage through the spin crossover point in the absence of the spin–orbit interaction, which is accompanied by a jumpwise redistribution of the partial spectral weight between the poles of the Green function of Fermi quasiparticles. The role of the spin–orbit interaction and the change in the surface topology of surface of one-particle Green function zeros are considered.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sidorov K. A., Gavrichkov V. A., Nikolaev S. V., Pchelkina Z. V., Ovchinnikov S. G.
Заглавие : Effect of external pressure on the normal and superconducting properties of high-Tc cuprates
Место публикации : Phys. Status Solidi B. - 2016. - Vol. 253, Is. 3. - P.486-493. - ISSN 0370-1972, DOI 10.1002/pssb.201552465
Примечания : Cited References: 50. - We are thankful to Dr. M.M. Korshunov for useful discussions. This work was supported by RFBR Grants 13-02-01395, 14-02-00186, grant of Russian President NSh-2886.2014.2, and the Ministry of Education and Science of Russia (SibFU Government Contract for 2014-2016, No. 3085).
Предметные рубрики: HYDROSTATIC-PRESSURE
ELECTRONIC-STRUCTURE
EXCHANGE INTERACTION
HEISENBERG-MODEL
COPPER OXIDES
FERMI-SURFACE
SPIN-WAVE
Ключевые слова (''Своб.индексиров.''): cuprates--electronic structure--fermi surface--lifshitz transitions--strongly correlated electrons--superconducting properties
Аннотация: The pressure effects on the normal state electronic structure, the superexchange interaction, and the critical temperature of d-type superconductivity mediated by magnetic pairing have been studied within the multielectron hybrid scheme LDA+GTB that takes into account electron correlations in CuO2 planes. We have found the changes of the multiband p–d model parameters at 3% compression of different symmetry: (i) hydrostatic, (ii) along the c-axis, and (iii) in a–b plane. We have studied the changes of the Fermi surface under external pressure for different hole doping concentration x. In general, this effect is too small except two critical concentrations xc1≈0.15 and xc2=0.24 where the Lifshitz transitions occur with the change of the Fermi surface topology. In the vicinity of the critical concentration, we have found the giant change of the Fermi surface area up to 100% related to the pressure-induced Lifshitz transition. The effects of pressure on the antiferromagnetic coupling J and the mean-field value of Tc are obtained in a good agreement to experimental data.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Effect of hole doping on the electronic structure and the Fermi surface in the Hubbard model within norm-conserving cluster pertubation theory
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 1. - P.118-131. - ISSN 1063-7761, DOI 10.1134/S1063776111150143
Примечания : Cited References: 51. - This study was supported financially by the Russian Foundation for Basic Research (project nos. 10-02-90725-mob_st and 09-02-00127), Program 18.7 of the Presidium of the Russian Academy of Sciences, the Federal Target Program "Personnel" (state contract no. P891), and the integrated project no. 40 of the Siberian Branch of the Russian Academy of Sciences.
Предметные рубрики: HIGH-TEMPERATURE SUPERCONDUCTORS
NARROW ENERGY-BANDS
CORRELATED ELECTRONS
PSEUDOGAP
EVOLUTION
La2-XSRXCuO4
INSULATOR
Аннотация: The concentration dependences of the band structure, spectral weight, density of states, and Fermi surface in the paramagnetic state are studied in the Hubbard model within cluster pertubation theory with 2 x 2 clusters. Representation of the Hubbard X operators makes it possible to control conservation of the spectral weight in constructing cluster perturbation theory. The calculated value of the ground-state energy is in good agreement with the results obtained using nonperturbative methods such as the quantum Monte Carlo method, exact diagonalization of a 4 x 4 cluster, and the variational Monte Carlo method. It is shown that in the case of hole doping, the states in the band gap (in-gap states) lie near the top of the lower Hubbard band for large values of U and near the bottom of the upper band for small U. The concentration dependence of the Fermi surface strongly depends on hopping to second (t') and third (t '') neighbors. For parameter values typical of HTSC cuprates, the existence of three concentration regions with different Fermi surfaces is demonstrated. It is shown that broadening of the spectral electron density with an energy resolution typical of contemporary ARPES leads to a pattern of arcs with a length depending on the concentration. Only an order-of-magnitude decrease in the linewidth makes it possible to obtain the true Fermi surface from the spectral density. The kinks associated with strong electron correlations are detected in the dispersion relation below the Fermi level.
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13.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Orlov Yu. S., Nikolaev S. V., Nesterov A., Ovchinnikova T.
Заглавие : Effect of interatomic exchange interaction on spin crossover and Mott-Hubbard transition under high pressure and the physical properties of the low Earth’s mantle : Invited
Коллективы : Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Siberian Federal Univercity, International Workshop on Actual Problems of Condensed Matter Physics
Место публикации : International workshop on actual problems of condensed matter physics: Program. Book of abstracts/ Fed. Res. Center KSC SB RAS, Kirensky Inst. of phys., Sib. Fed. Univ. - Krasnoyarsk, 2017. - P.26 (Шифр В37/H99-812624296)
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuz'min V. I., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Effect of short-range correlations on spectral properties of doped Mott insulators
Место публикации : J. Supercond. Novel Magn. - 2019. - Vol. 32, Is. 7. - P.1909-1919. - ISSN 15571939 (ISSN) , DOI 10.1007/s10948-018-4927-x
Примечания : Cited References: 81. - The reported study was funded by RFBR according to the research project no. 18-32-00256 (all the results except correlation functions calculated using 4 × 4 clusters). The study also was funded by the Presidium RAS program no. 12 “Fundamental problems of high temperature superconductivity” (research project 0356-2018-0063); “BASIS” Foundation for Development of Theoretical Physics and Mathematics; RFBR according to the research project no. 16-02-00098; RFBR and Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science, the research project: “18-42-240017 Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations” and the research project 18-42-243004.
Аннотация: In the framework of the cluster perturbation theory for the 2D Hubbard and Hubbard-Holstein models at low hole doping, we have studied the effect of local and short-range correlations in strongly correlated systems on the anomalous features in the electronic spectrum by investigating the fine structure of quasiparticle bands. Different anomalous features of spectrum are obtained as the result of intrinsic properties of strongly correlated electron and polaron bands in the presence of short-range correlations. Particularly, features similar to the electron-like Fermi-pockets of cuprates at hole doping p ∼ 0.1 are obtained without ad hoc introducing a charge density wave order parameter within the Hubbard model in a unified manner with other known peculiarities of the pseudogap phase like Fermi-arcs, pockets, waterfalls, and kink-like features. The Fermi surface is mainly formed by dispersive quasiparticle bands with large spectral weight, formed by coherent low-energy exications. Within the Hubbard-Holstein model at moderate phonon frequencies, we show that modest values of local electron-phonon interaction are capable of introducing low-energy kink-like features and affecting the Fermi surface by hybridization of the fermionic quasiparticle bands with the Franck-Condon resonances.
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15.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Orlov Yu. S., Nikolaev S. V., Kuz'min V. I., Ovchinnikov S. G.
Заглавие : Effect of the electron-phonon interaction on the formation of the exciton phase in strongly correlated systems with the spin crossover
Коллективы : Российская академия наук, Физико-технический институт им. Е.К. Завойского ФИЦ Казанского научного центра РАН, Казанский (Приволжский) федеральный университет, Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : VIII Euro-Asian symposium "Trends in magnetism" (EASTMAG-2022): Book of abstracts/ program com. S. G. Ovchinnikov [et al.]. - 2022. - Vol. 2, Sect. H: Magnetism of strongly correlated electron systems. - Ст.H.P15. - P.104-105. - ISBN 978-5-94469-051-7
Примечания : Cited References: 4. - The study was supported by the Russian Scientiʅc Foundation, the Krasnoyarsk Regional Fund of Science, grant No. 22-22-20007
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Orlov Yu. S., Nikolaev S. V., Nesterov A. I., Ovchinnikova T. M.
Заглавие : Effect of the interatomic exchange interaction on the magnetic phase transitions in spin crossover systems under high-pressure
Место публикации : Phys. Solid State. - 2018. - Vol. 60, Is. 6. - P.1177-1179. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783418060276
Примечания : Cited References: 5. - This study was supported by the Russian Foundation for Basic Research, Government of the Kras-noyarsk Territory, and Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activities, projects nos. 16-42-243048 and 16-42-240413, the Grant Council of the President of the Russian Federation, project no. SP-1844.2016.1, and the Russian Foundation for Basic Research, projects nos. 16-02-00507, 16-02-00273, and 18-02-00453.
Аннотация: The phase diagram of an antiferromagnet with the spin crossover from the high-spin to low-spin state with S = 0 with increasing external pressure has been calculated with regard to the pressure dependence of the exchange integral. The calculated results are compared with the experimental data on ferropericlase Fe x Mg1 – xO.
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Shneyder E. I., Makarov I. A., Zotova M. V., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Effects of electron-phonon interaction in strongly correlated copper oxides systems within alternative versions of generalized tight-binding method
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016): abstracts/ ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk: KIP RAS SB, 2016. - Ст.O2.1. - P.135. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Примечания : References: 3. - Authors are thankful to Russian Science Foundation (project No. 14-12-00061) for financial support
Ключевые слова (''Своб.индексиров.''): electron-phonon interaction--strongly correlated electron systems
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nikolaev S. V., Orlov Yu. S., Dudnikov V. A.
Заглавие : Electronic Structure and Conductivity of a Disordered A1–xBx Binary Alloy in the Cluster Approach for the Hubbard Model
Место публикации : J. Exp. Theor. Phys. - 2020. - Vol. 131, Is. 5. - P.823-837. - ISSN 10637761 (ISSN), DOI 10.1134/S1063776120100131
Примечания : Cited References: 27. - This study was supported by the Foundation “Basis” for development of theoretical physics and mathematics, Russian Foundation for Basic Research (project no. 19-03-00017), Government of Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science according to the research project “Electronic correlation effects and multiorbital physics in iron-based materials and cuprates” (no. 19-42-240007) and research project “Features of electron-phonon coupling in high-temperature superconductors with strong electronic correlations” (no. 18-42-240017)
Аннотация: We propose a method for calculating the electronic band structure of disordered systems with strong electron correlations. Various approaches to the description of electrical conductivity of disordered systems are considered. Calculations are based on determining the one-particle Green function of the system, which is averaged over different configurations of a cluster, on the Boltzmann formalism, and the Kubo linear response theory. As the basic model, we use the Hubbard model for an A –xBx binary alloy.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Erratum to: Magnetic properties and spin crossover in transition metal oxides with d5 ions at high pressures
Место публикации : J. Exp. Theor. Phys. - 2020. - Vol. 131, Is. 2. - P.374-374. - ISSN 1063-7761, DOI 10.1134/S1063776120320011. - ISSN 1090-6509(eISSN)
Примечания : Cited References: 1
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Nikolaev S. V., Gavrichkov V. A., Ovchinnikov S. G.
Заглавие : Exchange interaction between the high spin Co3+ states in LaCoO3
Место публикации : Comput. Mater. Sci. - 2022. - Vol. 204. - Ст.111134. - ISSN 09270256 (ISSN), DOI 10.1016/j.commatsci.2021.111134
Примечания : Cited References: 59. - We are thankful to the Russian Science Foundation, Russia for the financial support under the project 18-12-00022
Аннотация: The formation of the exchange interaction between HS Co3+ ions, which are excited in LaCoO3, is studied within the multielectron approach. Two main contributions appear to be antiferromagnetic (AFM) and ferromagnetic (FM). When the ground state is LS, the total interaction is AFM. The crossover to the HS state may result in the FM ordering. The mean-field magnetic phase diagrams on the plane spin gap-temperature have been calculated without and with spin-orbital interaction in the HS term. Without spin-orbital interaction the reentrant magnetic order is possible. The spin-orbital coupling removes the reentrant phase transition and stabilizes the LS state. For known from experimental data values of the spin gap and exchange interaction, the ideal stoichiometric LaCoO3 is very close to the LS–HS crossover and magnetic ordering border. The violations of local coordination and symmetry of the Co3+-oxygen complexes that take place in the intergrain boundaries, at the surface of single crystals, and in the thin films on the strained substrate, may result in the formation of the HS state and FM order for such materials.
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