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Application of the new LDA plus GTB method for the band structure calculation of n-type cuprates / M. M. Korshunov [et al.] // Physica B. - 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P. 459-460, DOI 10.1016/j.physb.2006.01.340. - Cited References: 11 . - ISSN 0921-4526

РУБ Physics, Condensed Matter
Рубрики:
SUPERCONDUCTIVITY
PARAMETERS
DENSITY
Кл.слова (ненормированные):
strongly correlated electron systems -- superconductivity -- n-type cuprates -- n-type cuprates -- Strongly correlated electron systems -- Superconductivity -- Electronic structure -- Hamiltonians -- Mathematical models -- Oxide superconductors -- Perturbation techniques -- Intercluster hopping -- N-type cuprates -- Strongly correlated electron systems -- Band structure
Аннотация: A novel hybrid scheme is proposed and applied for band structure calculations of undoped n-type cuprate Nd2CuO4. The ab initio LDA calculation is used to obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within this model is calculated by the generalized tight-binding (GTB) method, that combines the exact diagonalization of the model Hamiltonian for a small cluster with perturbation treatment of the intercluster hopping and interactions. For Nd2CuO4, this scheme results in charge transfer insulator with value of the gap and band dispersion in agreement to the experimental data. (c) 2006 Elsevier B.V. All rights reserved.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Met Phys, Ural Div, Ekaterinburg 620219, Russia
ИФ СО РАН
L.V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute of Metal Physics, Russian Academy, Sciences-Ural Division, GSP-170, 620219 Yekaterinburg, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Nekrasov, I. A.; Pchelkina, Z. V.; Anisimov, V. I.
}
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Avramov, P. V.
The strong electron correlation effects in XAFS spectra of HTSC cuprates / P. V. Avramov, S. G. Ovchinnikov // J. Phys. IV. - 1997. - Vol. 7: 9th International Conference on X-Ray Absorption Fine Structure (AUG 26-30, 1996, GRENOBLE, FRANCE), Is. C2. - P. 183-185. - Cited References: 11 . - ISSN 1155-4339

РУБ Physics, Multidisciplinary
Рубрики:
X-RAY-ABSORPTION
   MULTIPLE-SCATTERING ANALYSIS
   EDGE STRUCTURE
   LA2CUO4
   XANES
Аннотация: Theoretical XAFS spectra of highly correlated copper oxides have been presented as a product of a single-electron part obtained by the SCF X alpha- SW method, and a multi-electron part obtained by the multi-band multi-electron p-d model. The main line of CuK-spectrum of La2CuO4 was aligned to the Cud(10) (L) under bar configuration and the single satellite line was aligned to the Cud(9). Comparison of the theoretical data with the experimental ones shows that the ground state of the two-holes in the CuO4 doped cell is triplet. The last conclusion has been confirmed by analysis of CuL2,3-spectra of two-hole impurity states of doped CuO4 cell. Another interesting future of CuL2,3-spectra a peak 2.8 eV higher the threshold was aligned to the transitions into quasi-stationary states due to existence of a high barrier in the Cud-state potential.

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Аврамов, Павел Вениаминович
}
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BCS-type Theory for the Sum of Magnetic and Phonon Coupling in high-Tc Cuprates / E. Shneyder, S. Ovchinnikov // 18th International Conference on Magnetism (ICM-2009). - 2009. - Ст. Mo-A-5.1-03

Доп.точки доступа:
Shneyder, E.; Ovchinnikov, S.; International Conference on Magnetism(18 ; 2009 ; July 26-31 ; Karlsruhe, Germany)
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Borisov, A. A.
Doping dependence of the band structure and chemical potential in cuprates by the generalized tight-binding method / A. A. Borisov, V. A. Gavrichkov, S. G. Ovchinnikov // Mod. Phys. Lett. B. - 2003. - Vol. 17, Is. 10-12. - P. 479-486, DOI 10.1142/S0217984903005500. - Cited References: 12 . - ISSN 0217-9849

РУБ Physics, Applied + Physics, Condensed Matter + Physics, Mathematical
Рубрики:
CORRELATED ELECTRONS
SUPERCONDUCTIVITY
OXIDES
Аннотация: Quasiparticle band structure in hole doped CuO2 layer is calculated with account for strong electron correlations in the framework of multiband p-d model. For undoped layer we obtain the charge-transfer antiferromagnetic insulator. With doping unusual impurity-like quasiparticle appears at the top of the valence band with spectral weight proportional to doping concentration. In the overdoped regime the band structure in the paramagnetic phase results in the doping dependent Fermi surface in agreement to ARPES data.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Krasnoyarsk State Univ, Theoret Phys Chair, Krasnoyarsk 660041, Russia
ИФ СО РАН

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; International Conference on Modern Problems in Superconductivity(3 ; 2002 ; Sept. ; 9-14 ; Yalta, Ukrain)
}
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Coexisting 1D and 3D magnetic interactions in the insulating copper-oxygen compound CuB2O4 / M. . Boehm [et al.] // Physica B. - 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P. 1128-1129, DOI 10.1016/j.physb.2006.01.540. - Cited References: 8 . - ISSN 0921-4526

РУБ Physics, Condensed Matter
Рубрики:
SPIN-WAVE SPECTRUM
PHASE 10 K
METABORATE
Кл.слова (ненормированные):
cuprates -- magnetic soliton lattice -- Heisenberg exchange -- low-dimensional excitations -- Cuprates -- Heisenberg exchange -- Low-dimensional excitations -- Magnetic soliton lattice -- Dispersions -- Insulating materials -- Magnetic properties -- Neutron scattering -- Positive ions -- Cuprates -- Heisenberg exchange -- Low-dimensional excitations -- Magnetic soliton lattice -- Copper compounds
Аннотация: We performed inelastic neutron scattering measurements on CuB2O4 with a magnetic field applied in the tetragonal basal plane. The spin dynamics in this cuprate is determined by the interplay of two magnetic Cu2+ subsystems, the magnetic cage with predominant 3d Heisenberg exchange and quasi Id zig-zag chains. The comparison of the dispersion spectra along the chain direction in zero field and under applied field suggests a decoupling of the two magnetic sublattices under field. (c) 2006 Elsevier B.V. All rights reserved.

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Держатели документа:
Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France
Paul Scherrer Inst, Neutron Scattering Lab, CH-5232 Villigen, Switzerland
Russian Acad Sci, Inst Phys, SB, Krasnoyarsk 660036, Russia
ИФ СО РАН
Institut Laue Langevin, 6, rue Jules Horowitz, F-38042 Cedex 9, France
Laboratory of Neutron Scattering, Paul Scherrer Institute, CH-5232 Villigen, Switzerland
Institute of Physics, SB RAS, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Boehm, M.; Roessli, B.; Schefer, J.; Ouladdiaf, B.; Kulda, J.; Petrakovskii, G. A.; Петраковский, Герман Антонович
}
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    Crossover large polaron - small polaron in the HTSC cuprates / I. A. Makarov [и др.] // V Междунар. конф. "Фундамент. пробл. высокотемп. сверхпров-ти" (ФПС'2015) : сборник расширенных тезисов . - М. : ФИАН, 2015. - Библиогр.: 3 назв.
   Перевод заглавия: Кроссовер большой полярон - малый полярон в ВТСП купратах

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Доп.точки доступа:
Makarov, I. A.; Макаров, Илья Анатольевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Kozlov, P. A.; Козлов, Пётр Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; "Фундаментальные проблемы высокотемпературной сверхпроводимости", Международная конференция(5 ; 2015 ; окт. ; 5-9 ; Малаховка, Моск. обл.); Российская академия наук ; Физический институт им. П.Н. Лебедева РАН; Научный совет по физике конденсированного состояния РАН; Научный совет по физике низких температур РАН
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Physics, Applied
C94

Cuprates, manganites and cobaltites: Multielectron approach to the band structure / M. M. Korshunov [et al.] // Mod. Phys. Lett. B. - 2012. - Vol. 26, Is. 24. - Ст. 1230016, DOI 10.1142/S0217984912300165. - Cited References: 93. - We are thankful to O. K. Andersen, V. I. Anisimov, A. F. Barabanov, K. I. Kikoin, N. M. Plakida, S. Sakai, A.-M.S. Tremblay, V. V. Val'kov, and R. O. Zaitsev for useful discussions. This work was supported by the Presisium of RAS program Quantum physics of condensed matter N 20.7, Grant "Leading scientific schools of Russia" (NSh 1044-2012.2), RFBR (Grant No. 09-02-00127), Integration Grant of SBRAS-UrBRAS N 44, Grant of President of Russia MK-1683.2010.2, FCP Scientific and Research-and-Educational Personnel of Innovative Russia for 2009-2013 (GK 16.740.12.0731 and GK 16.740.11.0740), and Siberian Federal University (Theme N F-11). M.M.K. and E.I.S. acknowledges support from The Dynasty Foundation and ICFPM. . - ISSN 0217-9849

РУБ Physics, Applied + Physics, Condensed Matter + Physics, Mathematical
Рубрики:
HIGH-TEMPERATURE SUPERCONDUCTORS
   MEAN-FIELD THEORY
   DENSITY-FUNCTIONAL FORMALISM
   CORRELATED ELECTRON-SYSTEMS
   TRANSITION-METAL COMPOUNDS
   SPIN-STATE TRANSITION
   T-J MODEL
   MAGNETIC-PROPERTIES
   COPPER OXIDES
   LaCoO3
Кл.слова (ненормированные):
LDA plus GTB method -- strongly-correlated systems -- band structure
Аннотация: High-T-c superconductors with CuO2 layers, manganites La1-xSrxMnO3 and cobaltites LaCoO3 present several mysteries in their physical properties. Most of them are believed to come from the strongly-correlated nature of these materials. From the theoretical viewpoint, there are many hidden rocks in making the consistent description of the band structure and low-energy physics starting from the Fermi-liquid approach. Here, we discuss the alternative method - multielectron approach to the electronic structure calculations for the Mott insulators - called LDA + GTB (local density approximation + generalized tight-binding) method. Its origin is a straightforward generalization of the Hubbard perturbation theory in the atomic limit and the multiband p - d Hamiltonian with the parameters calculated within LDA. We briefly discuss the method and focus on its applications to cuprates, manganites and cobaltites.

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Держатели документа:
[Korshunov, M. M.
Ovchinnikov, S. G.
Shneyder, E. I.
Gavrichkov, V. A.
Orlov, Yu. S.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Korshunov, M. M.
Ovchinnikov, S. G.
Gavrichkov, V. A.
Orlov, Yu. S.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Shneyder, E. I.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
[Nekrasov, I. A.] Russian Acad Sci, Inst Electrophys, Ekaterinburg 620016, Russia
[Pchelkina, Z. V.] Russian Acad Sci, Inst Met Phys, Ekaterinburg 620219, Russia
L. V. Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk 660041, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk 660014, Russian Federation
Institute for Electrophysics, Russian Academy of Sciences, Ekaterinburg 620016, Russian Federation
Institute for Metal Physics, Russian Academy of Sciences, Ekaterinburg 620219, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Orlov, Yu.S.; Орлов, Юрий Сергеевич; Nekrasov, I. A.; Pchelkina, Z. V.
}
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Decisive proofs of the s± → s++ transition in the temperature dependence of the magnetic penetration depth / V. A. Shestakov, M. M. Korshunov, Y. N. Togushova, O. V. Dolgov // Supercond. Sci. Technol. - 2021. - Vol. 34, Is. 7. - Ст. 075008, DOI 10.1088/1361-6668/abff6f. - Cited References: 40. - We are grateful to D V Efremov, A S Fedorov, S G Ovchinnikov, E I Shneyder, D Torsello, and A N Yaresko for useful discussions. This work was supported in part by the Russian Foundation for Basic Research (RFBR) Grant No. 19-32-90109 and by RFBR and Government of Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science to the Research Projects 'Electronic correlation effects and multiorbital physics in iron-based materials and cuprates' Grant No. 19-42-240007. . - ISSN 0953-2048. - ISSN 1361-6668

РУБ Physics, Applied + Physics, Condensed Matter
Рубрики:
ORDER-PARAMETER
   IMPURITIES
   SUPERCONDUCTORS
   STATES
   MODEL
Кл.слова (ненормированные):
unconventional superconductors -- iron pnictides -- iron chalcogenides -- impurity scattering -- penetration depth
Аннотация: One of the features of the unconventional s± state in iron-based superconductors is possibility to transform to the s++ state with the increase of the nonmagnetic disorder. Detection of such a transition would prove the existence of the s± state. Here we study the temperature dependence of the London magnetic penetration depth within the two-band model for the s± and s++ superconductors. By solving Eliashberg equations accounting for the spin-fluctuation mediated pairing and nonmagnetic impurities in the T-matrix approximation, we have derived a set of specific signatures of the s± → s++ transition: (1) sharp change in the behavior of the penetration depth λL as a function of the impurity scattering rate at low temperatures; (2) before the transition, the slope of ΔλL(T) = λL(T) - λL(0) increases as a function of temperature, and after the transition this value decreases; (3) the sharp jump in the inverse square of the penetration depth as a function of the impurity scattering rate, λL-2(Γa), at the transition; (4) change from the single-gap behavior in the vicinity of the transition to the two-gap behavior upon increase of the impurity scattering rate in the superfluid density ρs(T).

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Держатели документа:
RAS, Fed Res Ctr KSC SB, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
RAS, PN Lebedev Phys Inst, Moscow 119991, Russia.
Donostia Int Phys Ctr, San Sebastian 20018, Spain.

Доп.точки доступа:
Shestakov, V. A.; Шестаков, Вадим Андреевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Togushova, Yu. N.; Тогушова Ю. Н.; Dolgov, O., V; Russian Foundation for Basic Research (RFBR)Russian Foundation for Basic Research (RFBR) [19-32-90109]; RFBRRussian Foundation for Basic Research (RFBR); 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' [19-42-240007]
}
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    Doping dependent band structure and pairing in strongly correlated electron systems of high-Tc cuprates / S. G. Ovchinnikov [и др.] // V International symposium on strong nonlinear vibronic and electronic interactions in solids : program, book of abstracts . - 2015. - Ст. O18. - P. 28. - Библиогр.: 1 назв.
   Перевод заглавия: Зависящие от допирования зонная структура и спаривание в системах с сильными электронными корреляциями ВТСП купратов

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Korshunov, M. M.; Коршунов, Максим Михайлович; Makarov, I. A.; Макаров, Илья Анатольевич; International symposium on strong nonlinear vibronic and electronic interactions in solids(5 ; 2015 ; May ; 1-3 ; Tartu)
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10.

Effect of external pressure on the normal and superconducting properties of high-Tc cuprates / K. A. Sidorov [et al.] // Phys. Status Solidi B. - 2016. - Vol. 253, Is. 3. - P. 486-493, DOI 10.1002/pssb.201552465. - 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). . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
HYDROSTATIC-PRESSURE
   ELECTRONIC-STRUCTURE
   EXCHANGE INTERACTION
   HEISENBERG-MODEL
   COPPER OXIDES
   FERMI-SURFACE
   SPIN-WAVE
Кл.слова (ненормированные):
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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Доп.точки доступа:
Sidorov, K. A.; Сидоров, Кирилл Александрович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Nikolaev, S. V.; Николаев, Сергей Викторович; Pchelkina, Z. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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