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   В37
   Б 82

    Борисов, Алексей Александрович.
    Температурная и концентрационная зависимости электронной структуры оксидов меди в рамках обобщенного метода сильной связи [Рукопись] : дис. на соиск. уч. степени канд. физ.-мат. наук : 01.04.07 : защищена 25.12.2002 / А. А. Борисов ; науч. рук.: С. Г. Овчинников, В. А. Гавричков ; Рос. акад. наук, Сиб. отд-ние, Ин-т физики им. Л.В. Киренского. - Красноярск, 2002. - 173 с. - Библиогр.: 114 назв. -

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29.19.24

ББК В373.1я031

Держатели документа:
Библиотека Института физики им. Л. В. Киренского СО РАН
Доп.точки доступа:
Овчинников, Сергей Геннадьевич \науч. рук.\; Ovchinnikov, S. G.; Гавричков, Владимир Александрович \науч. рук.\; Gavrichkov, V. A.; Borisov A.A.; Российская академия наук; Сибирское отделение РАН; Институт физики им. Л.В. Киренского Сибирского отделения РАН
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   В37
   Г 12

    Гавричков, Владимир Александрович.
    Энергетическая структура и свойства сильно коррелированных электронных систем купратов и манганитов [Рукопись] : дис. на соиск. уч. степени д-ра физ.-мат. наук : 01.04.07 / В. А. Гавричков ; науч. конс. С. Г. Овчинников ; Рос. акад. наук, Сиб. отд-ние, Ин-т физики им. Л.В. Киренского. - Красноярск, 2011. - 320 с. - Библиогр.: с. 273-320. -

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29.19.37

ББК В373.3я031

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Библиотека Института физики им. Л. В. Киренского СО РАН
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Овчинников, Сергей Геннадьевич \науч. конс.\; Ovchinnikov, S. G.; Gavrichkov, V. A.; Российская академия наук; Сибирское отделение РАН; Институт физики им. Л.В. Киренского Сибирского отделения РАН
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   В37
   В 16

    Гавричков, Владимир Александрович.
    Многоэлектронная теория оптических и электрических свойств ферромагнитных хромовых шпинелей [Рукопись] : дис. на соиск. уч. степени канд. физ.-мат. наук : 01.04.11 : защищена 10.03.1989 / В. А. Гавричков ; науч. рук. С. Г. Овчинников ; Акад. наук СССР, Сиб. отд-ние, Ин-т физики им. Л.В. Киренского. - Красноярск, 1988. - 113 с. - Библиогр.: 88 назв. -

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29.19.31

29.19.37

ББК В379.233я031

Держатели документа:
Библиотека Института физики им. Л. В. Киренского СО РАН
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Овчинников, Сергей Геннадьевич \науч. рук.\; Ovchinnikov, S. G.; Gavrichkov, V. A.; Академия наук СССР; Сибирское отделение АН СССР; Институт физики им. Л.В. Киренского Сибирского отделения АН СССР
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    Magnetic mechanisms of pairing in strongly correlated electron system of copper oxides / S. G. Ovchinnikov, I. A. Makarov, E. I. Shneyder [et al.] ; ed. C. B. Taylor // Recent advances in superconductivity research. - New York : Nova Science Publishers, 2013. - Chapter 6. - P. 93-143 . - ISBN 978-1-62618-406-0
   Перевод заглавия: Магнитные механизмы спаривания в сильно коррелированной системе оксидов меди
Кл.слова (ненормированные):
strong electronic correlations -- magnetic mechanism of pairing -- quantum phase transitions -- electronic structure -- Hubbard operators -- cuprates
Аннотация: The multielectron LDA+GTB approach has been developed to calculate electronic structure of strongly correlated cuprates. At low energies the effective Hamiltonian of the t- t’- t”- t﬩-J*-J﬩ -model has been derived with parameters coming from the ab initio calculation for LSCO. The electronic structure of LSCO has been calculated self-consistently with the short-range antiferromagnetic order for various doping level. Two Lifshitz-type quantum phase transitions with Fermi surface topology changes have been found at dopings x(c1) = 0.15 and x(c2) = 0.24. Its effect on normal and superconducting properties has been calculated. The interatomic ex change parameter and its pressure dependence has been calculated within LDA+GTB scheme. The magnetic mechanisms of d-wave pairing induced by static and dynamical spin correlations are discussed. Simultaneous treatment of magnetic and phonon pairing results in the conclusion that both contributions are of the same order. For two layer cuprates like YBCO the interlayer hopping and exchange effects on the electronic structure and doping dependence of Tc is discussed as well as the Coulomb interaction induced mechanism of pairing.

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Makarov, I. A.; Макаров, Илья Анатольевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Togushova, Yu. N.; Тогушова Ю. Н.; Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Taylor, C. B. \ed.\
}
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LDA+GTB method for band structure Calculations in the strongly correlated materials / S. G. Ovchinnikov [и др.] // Strongly correlated system : Theoretical methods. - 2012. - P. 143-171. - (Springer series in solid-state sciences ; Vol. 171), DOI 10.1007/978-3-642-21831-6_5. - Cited References: 70 . - ISSN 0171-1873. - ISSN 978-3-642. - ISSN 978-3-642
Аннотация: We present the multielectron LDA+GTB (local density approximation plus generalized tight-binding) approach to the electronic structure calculations for the Mott insulators. This method is a straightforward generalization of the Hubbard perturbation theory which starts from the atomic limit. All local interactions within the unit cell are treated by the exact diagonalization of the multiband p−d Hamiltonian with the parameters calculated within LDA. Intercell Hoppings and interactions between the unit cells are considered as perturbation within the Hubbard X-operators representation. We also discuss the application of the LDA+GTB method to cuprates, manganites, and cobaltites.

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Доп.точки доступа:
Avella, A. \ed.\; Mancini, F. \ed.\; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Korshunov, M. M.; Коршунов, Максим Михайлович; Shneyder, E. I.; Шнейдер, Елена Игоревна
}
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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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Gavrichkov, V. A.
A simple metal-insulator criterion for the doped Mott-Hubbard materials / V. A. Gavrichkov // Solid State Commun. - 2015. - Vol. 208. - P. 11-14, DOI 10.1016/j.ssc.2015.02.014. - Cited References:19. - We acknowledge with pleasure discussions with Igor S. Sandalov during the course of this work. This work was supported by RFBR Grant nos. 13-02-01395, 14-02-00186, and Nsh-28862014.2. . - ISSN 0038. - ISSN 1879-2766. -

РУБ Physics, Condensed Matter
Рубрики:
COOPER PAIRS
Bi2Sr2CaCu2O8+DELTA
Кл.слова (ненормированные):
Doped Mott-Hubbard materials -- Metal-insulator transition -- First removal -- electron states
Аннотация: A simple metal-insulator criterion for doped Mott-Hubbard materials has been derived, Its readings are closely related to the orbital and spin nature of the ground states of the unit cell. The available criterion readings (metal or insulator) in the paramagnetic phase reveal the possibility of the insulator state of doped materials with the forbidden first removal electron states. According to its physical meaning, the result is similar to the Wilson's criterion in itinerant electron systems. The application of the criterion to high-T-c cuprates is discussed. (C) 2015 Elsevier Ltd. All rights reserved.

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Доп.точки доступа:
Гавричков, Владимир Александрович; RFBR [13-02-01395, 14-02-00186, Nsh-28862014.2]
}
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Coupling of Hubbard fermions with phonons in La2 CuO4: A combined study using density-functional theory and the generalized tight-binding method / E. I. Shneyder [et al.] // J. Alloys Compd. - 2015. - Vol. 648. - P. 258-264, DOI 10.1016/j.jallcom.2015.05.150. - Cited References: 60. - We acknowledge the stimulating discussions with V.V. Val'kov, D.M. Dzebisashvilly, M.M. Korshunov and I.S. Sandalov. E.I.S. and S.G.O. are thankful to the Russian Science Foundation (project No. 14-12-00061) for the support of the research given in Sections 2, 6 and 7. E.E.K. and I.A.N. are thankful to the State Contract No. 0389-2014-0001 and RFBR grant No. 14-02-00065 for the support of the research given in Section 5. Financial support of the research given in Sections 3 and 4 by the Austrian Federal Government (in particular from Bundesministerium fur Verkehr, Innovation und Technologie and Bundesministerium fur Wissenschaft, Forschung und Wirtschaft) represented by Osterreichische Forschungsforderungsgesellschaft mbH and the Styrian and the Tyrolean Provincial Government, represented by Steirische Wirtschaftsforderungsgesellschaft mbH and Standortagentur Tirol, within the framework of the COMET Funding Programme is gratefully acknowledged by C.D. and J.S. . - ISSN 0925-8388

РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering
Рубрики:
MEAN-FIELD THEORY
   LINEAR-RESPONSE THEORY
   CUPRATE SUPERCONDUCTORS
   ELECTRONIC-STRUCTURE
   CORRELATED SYSTEMS
   LATTICE-DYNAMICS
   BAND-STRUCTURE
   LA2CUO4
   MODEL
   LA2-XSRXCUO4
Кл.слова (ненормированные):
High-temperature superconductivity -- Electron-phonon coupling -- Density-functional theory -- Generalized tight-binding approach
Аннотация: We present results for the electron-phonon interaction of the Γ-point phonons in the tetragonal high-temperature phase of La2 CuO4 obtained from a hybrid scheme, combining density-functional theory (DFT) with the generalized tight-binding approach. As a starting point, eigenfrequencies and eigenvectors for the Γ-point phonons are determined from DFT within the frozen phonon approach utilizing the augmented plane wave + local orbitals method. The so obtained characteristics of electron-phonon coupling are converted into parameters of the generalized tight-binding method. This approach is a version of cluster perturbation theory and takes the strong on-site electron correlations into account. The obtained parameters describe the interaction of phonons with Hubbard fermions which form quasiparticle bands in strongly correlated electron systems. As a result, it is found that the Γ-point phonons with the strongest electron-phonon interaction are the A2u modes (236 cm-1, 131 cm-1 and 476 cm-1). Finally it is shown, that the single-electron spectral-weight redistribution between different Hubbard fermion quasiparticles results in a suppression of electron-phonon interaction which is strongest for the triplet Hubbard band with z oriented copper and oxygen electrons. © 2015 Elsevier B.V. All rights reserved.

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Держатели документа:
Kirensky Institute of Physics SB RAS, Akademgorodok 50, Bld. 38, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, Russian Federation
Materials Center Leoben Forschung GmbH, Rosegger-Stra?e 18, Leoben, Austria
Institute of Electrophysics UB RAS, Amundsena Str. 106, Yekaterinburg, Russian Federation
Physics Department and IRIS Adlershof, Humboldt-Universita¨t zu Berlin, Zum Großen Windkanal 6, Berlin, Germany

Доп.точки доступа:
Shneyder, E. I.; Шнейдер, Елена Игоревна; Spitaler, J.; Kokorina, E. E.; Nekrasov, I. A.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Draxl, C.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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Моделирование свойств, электронной структуры ряда углеродных и неуглеродных нанокластеров и их взаимодействия с легкими элементами / А. С. Федоров [и др.] ; рец.: Н. Г. Замкова, В. А. Наслузов, В. А. Гавричков ; Рос. акад. наук, Сиб. отд-ние, Ин-т физики им. Л.В. Киренского, Ин-т железнодор. тр-та. - Новосибирск : Изд-во СО РАН, 2006. - ISBN 5-7692-0817-1 : Б. ц.

Держатели документа:
Библиотека Института физики им. Л. В. Киренского СО РАН

Доп.точки доступа:
Федоров, Александр Семенович; Fedorov, A. S.; Сорокин, Борис Павлович; Аврамов, Павел Вениаминович; Avramov, P. V.; Овчинников, Сергей Геннадьевич; Ovchinnikov, S. G.; Замкова, Наталья Геннадьевна \рец.\; Zamkova, N. G.; Наслузов, В. А. \рец.\; Гавричков, Владимир Александрович \рец.\; Gavrichkov, V. A.; Российская академия наук; Сибирское отделение РАН; Институт физики им. Л.В. Киренского Сибирского отделения РАН; Институт железнодорожного транспорта
Свободных экз. нет}
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10.

    Magnetic mechanisms of pairing in strongly correlated electron system of copper oxides / S. G. Ovchinnikov [et al.] // arXiv. - 2015. - Ст. eprint arXiv:1510.08640. - Cited References: 214. - The authors acknowledge support from FCP Scientific and Research-and-Educational Personnel of Innovative Russia for 2009-2013 (GK 16.740.12.0731 and GK 16.740.11.0740), RFBR (Grants 12-02-31534 and 12-02-31597), Siberian Federal University (Theme #F-11), Governmental support of leading scientific schools of Russia (NSh-1044.2012.2), Program of SB RAS #44, Presidium of RAS program #20.7. EIS, IAM, and MMK are grateful to The Dynasty Foundation and ICFPM forthe financial support. - In book.: Recent advances in superconductivity research", ed. by C.B. Taylor, 321 p., Nova Science Publishers Inc. New York, 2013 ISBN: 978-1-62618-406-0, Chapter 6
Рубрики:
Condensed matter--Strongly correlated electrons
   Superconductivity
Кл.слова (ненормированные):
strong electronic correlations -- cuprates -- Hubbard operators -- electronic structure -- quantum phase transitions -- magnetic mechanism of pairing
Аннотация: The multielectron LDA+GTB approach has been developed to calculate electronic structure of strongly correlated cuprates. At low energies the effective Hamiltonian of the t−t′−t"−t⊥−J∗−J⊥-model has been derived with parameters coming from the ab initio calculation for LSCO. The electronic structure of LSCO has been calculated self-consistently with the short-range antiferromagnetic order for various doping level. Two Lifshitz-type quantum phase transitions with Fermi surface topology changes have been found at dopings xc1=0.15 and xc2=0.24. Its effect on normal and superconducting properties has been calculated. The interatomic exchange parameter and its pressure dependence has been calculated within LDA+GTB scheme. The magnetic mechanisms of d-wave pairing induced by static and dynamical spin correlations are discussed. Simultaneous treatment of magnetic and phonon pairing results in the conclusion that both contributions are of the same order. For two layer cuprates like YBCO the interlayer hopping and exchange effects on the electronic structure and doping dependence of Tc is discussed as well as the Coulomb interaction induced mechanism of pairing.

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Makarov, I. A.; Макаров, Илья Анатольевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Togushova, Yu.N.; Тогушова Ю.Н.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Korshunov, M. M.; Коршунов, Максим Михайлович
}
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11.

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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12.

Electronic Structure of p-Type La1-xMx2+MnO3 Manganites in the Ferromagnetic and Paramagnetic Phases in the LDA plus GTB Approach / V. A. Gavrichkov [et al.] // J. Exp. Theor. Phys. - 2011. - Vol. 112, Is. 5. - P. 860-876, DOI 10.1134/S1063776111030101. - Cited References: 47. - This study was supported financially by integration project no. 40 of the Ural and Siberian Branches of the Russian Academy of Sciences, the program "Strong Electron Correlations" of the Russian Academy of Sciences, and the Russian Foundation for Basic Research (project no. 10-02-00251-a). . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
DOUBLE-EXCHANGE
   COLOSSAL MAGNETORESISTANCE
   THIN-FILMS
   PHYSICS
   LA1-XSRXMNO3
   RESISTIVITY
   SEPARATION
   TRANSPORT
   MODEL
Кл.слова (ненормированные):
Complex structure -- Cubic materials -- Ferromagnetic phase -- Half metals -- Jahn Teller effect -- Metal properties -- Metal types -- Orbitals -- P-type -- Paramagnetic phase -- Paramagnetic phasis -- Quasi particles -- Spectral intensity -- Spin projections -- Strong electron correlations -- Barium -- Density functional theory -- Electron correlations -- Electron density measurement -- Electronic properties -- Electronic structure -- Fermi level -- Ferromagnetic materials -- Ferromagnetism -- Manganese oxide -- Manganites -- Paramagnetic materials -- Paramagnetism -- Valence bands -- Lanthanum
Аннотация: The band structure, spectral intensity, and position of the Fermi level in doped p-type La1-xMx2+ MnO3 manganites (M = Sr, Ca, Ba) is analyzed using the LDA + GBT method for calculating the electronic structure of systems with strong electron correlations, taking into account antiferro-orbital ordering and using the Kugel-Khomskii ideas and real spin S = 2. The results of the ferromagnetic phase reproduce the state of a spin half-metal with 100% spin polarization at T = 0, when the spectrum is of the metal type for a quasiparticle with one spin projection and of the dielectric type for the other. It is found that the valence band becomes approximately three times narrower upon a transition to the paramagnetic phase. For the paramagnetic phase, metal properties are observed because the Fermi level is located in the valence band for any nonzero x. The dielectrization effect at the Curie temperature is possible and must be accompanied by filling of d(x) orbitals upon doping. The effect itself is associated with strong electron correlations, and a complex structure of the top of the valence band is due to the Jahn-Teller effect in cubic materials. DOI: 10.1134/S1063776111030101

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Публикация на русском языке Электронная структура манганитов La[1-x]M[x]2+MnO[3] p-типа в ферромагнитной и парамагнитной фазах в рамках LDA+GTB-подхода [Текст] / В. А. Гавричков [и др.] // Журнал экспериментальной и теоретической физики. - 2011. - Т. 139 Вып. 5. - С. 983-1000

Держатели документа:
[Gavrichkov, V. A.
Ovchinnikov, S. G.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Gavrichkov, V. A.
Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Nekrasov, I. A.] Russian Acad Sci, Ural Branch, Inst Electrophys, Ekaterinburg 620016, Russia
[Pchelkina, Z. V.] Russian Acad Sci, Ural Branch, Inst Met Phys, Ekaterinburg 620990, Russia
ИФ СО РАН
Siberian Branch, Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Ural Branch, Institute of Electrophysics, Russian Academy of Sciences, Yekaterinburg, 620016, Russian Federation
Ural Branch, Institute of Metal Physics, Russian Academy of Sciences, Yekaterinburg, 620990, Russian Federation

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Pchelkina, Z. V.
}
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13.

Gavrichkov, V. A.
Influence of two-particle excited states on the interatomic exchange interaction in La(2)CuO(4) / V. A. Gavrichkov, S. G. Ovchinnikov // Phys. Solid State. - 2008. - Vol. 50, Is. 6. - P. 1081-1086, DOI 10.1134/S1063783408060140. - Cited References: 12. - This study was supported by the Integration Project of the Siberian Branch–Ural Branch of the Russian Academy of Sciences (project. no. 74), the Russian Academy of Sciences, the Presidium of the Russian Academy of Sciences within the program “Quantum Macrophysics,” and the Russian Foundation for Basic Research (project nos. 06-02-90537-BNTS and 07-02-00226) . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
T-J MODEL
   COPPER OXIDES
   ELECTRON
   SPECTRUM
Аннотация: The effective spin Hamiltonian for undoped cuprates is constructed in the framework of the realistic multiband p-d model with the parameters calculated from first principles. The exchange interaction parameter is defined as the sum of the antiferromagnetic and ferromagnetic contributions, which are determined by the two-hole triplet terms. The ferromagnetic and antiferromagnetic contributions of the excited terms compensate each other to a large extent. It is shown that the antiferromagnetic contribution of the two-hole ground singlet (1)A(1g) to the exchange interaction is dominant.

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Публикация на русском языке Гавричков, Владимир Александрович. Влияние возбужденных двухчастичных состояний на межатомное обменное взаимодействие в La[2]CuO[4] [Текст] / В. А. Гавричков, С. Г. Овчинников // Физ. тверд. тела. - 2008. - Т. 50 Вып. 6. - С. 1037-1041

Держатели документа:
[Gavrichkov, V. A.
Ovchinnikov, S. G.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Gavrichkov, V. A.
Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660062, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk, 660062, Russian Federation

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович
}
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14.

Dominance of many-body effects over the one-electron mechanism for band structure doping dependence in Nd2-xCexCuO4: the LDA + GTB approach / M. M. Korshunov [et al.] // J. Phys.: Condens. Matter. - 2007. - Vol. 19, Is. 48. - Ст. 486203, DOI 10.1088/0953-8984/19/48/486203. - Cited References: 36 . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
NARROW ENERGY BANDS
   HUBBARD-MODEL
   SUPERCONDUCTORS
   DENSITY
   TEMPERATURE
   ORBITALS
   WAVE
Кл.слова (ненормированные):
Antiferromagnetism -- Band structure -- Correlation methods -- Crystal structure -- Local density approximation -- Superconducting materials -- Electronic correlations -- Fermionic quasiparticles -- Neodymium compounds
Аннотация: In the present work we report band structure calculations for the high-temperature superconductor Nd2-xCexCuO4 in the regime of strong electronic correlations within an LDA + GTB method, which combines the local density approximation (LDA) and the generalized tight-binding method (GTB). The two mechanisms of band structure doping dependence were taken into account. Namely, the one-electron mechanism provided by the doping dependence of the crystal structure, and the many-body mechanism provided by the strong renormalization of the fermionic quasiparticles due to the large on-site Coulomb repulsion. We have shown that, in the antiferromagnetic and in the strongly correlated paramagnetic phases of the underdoped cuprates, the main contribution to the doping evolution of the band structure and Fermi surface comes from the many-body mechanism.

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Держатели документа:
[Korshunov, M. M.
Gavrichkov, V. A.
Ovchinnikov, S. G.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, R-660036 Krasnoyarsk, Russia
[Korshunov, M. M.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
[Nekrasov, I. A.
Kokorina, E. E.] Russian Acad Sci, Inst Electrophys, R-620016 Ekaterinburg, Russia
[Pchelkina, Z. V.] Russian Acad Sci, Inst Met Phys, Ural Div, R-620041 Ekaterinburg, Russia
ИФ СО РАН
L V Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Max-Planck-Institut fur Physik Komplexer Systeme, D-01187 Dresden, Germany
Institute of Electrophysics, Russian Academy of Sciences, Ural Division, Amundsena 106, 620016 Yekaterinburg, Russian Federation
Institute of Metal Physics, Russian Academy of Sciences-Ural Division, GSP-170, 620041 Yekaterinburg, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Kokorina, E. E.; Pchelkina, Z. V.
}
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15.

Comparison of the single-electron and many-electron mechanisms of the concentration dependence of the HTSC cuprate band structure / V. A. Gavrichkov [et al.] // Phys. Solid State. - 2007. - Vol. 49, Is. 11. - P. 2052-2057, DOI 10.1134/S1063783407110066. - Cited References: 12. - This work was supported by the Russian Foundation for Basic Research (project nos. 05-02-16301, 05-02-17244, 06-02-90537) and the Ural Division of the Russian Academy of Sciences (interdisciplinary project no. 74, programs “Quantum Macrophysics” and “Strongly Correlated Electrons in Semiconductors,Metals, Superconductors, and Magnetic Materials”). Z.P. and I.N. are grateful to the “Dynasty” Foundation, the International Center for Fundamental Physics (Moscow), and the Russian Science Support Foundation for support. I.N. is grateful to the Council on Grants from the President of the Russian Federation for support (grant no. MK-2118.2005.02) . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
DENSITY
Аннотация: The band structure of the Nd2-xCexCuO4 HTSC is calculated using the LDA+GTB method, which combines the local density approximation (LDA) and the generalized tight-binding (GTB) method. Two mechanisms of the concentration dependence of the band structure (single-electron and many-electron mechanisms) are taken into account. It is demonstrated that the main contribution to the evolution of the band structure with doping comes from the many-electron mechanism.

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Публикация на русском языке Сравнение одноэлектронного и многоэлектронного механизмов концентрационной зависимости зонной структуры ВТСП-купратов [Текст] / В. А. Гавричков [и др.] // Физ. тверд. тела. - 2007. - Т. 49 Вып. 11. - С. 1958-1963

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Ural Div, Inst Electrophys, Ekaterinburg 620046, Russia
Russian Acad Sci, Ural Div, Inst Met Phys, Ekaterinburg 620041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Electrophysics, Ural Division, Russian Academy of Sciences, ul. Amundsena 106, Yekaterinburg 620046, Russian Federation
Institute of Metal Physics, Ural Division, Russian Academy of Sciences, ul. S. Kovalevskoi 18, Yekaterinburg 620041, Russian Federation

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Kokorina, E. E.; Pchelkina, Z. V.
}
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16.

Gavrichkov, V. A.
Effect of pressure on the electronic structure of cuprates with strongly correlated electrons / V. A. Gavrichkov, S. G. Ovchinnikov, G. V. Ul'm // Phys. Solid State. - 2007. - Vol. 49, Is. 4. - P. 608-612, DOI 10.1134/S1063783407040026. - Cited References: 11. - This work was supported by the Russian Foundation for Basic Research (project no. 06-02-16100), the Presidium of the Russian Academy of Sciences (program “Quantum Macrophysics”), and the Siberian Division of the Russian Academy of Sciences (complex integration project no. 3.4) . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
COPPER OXIDES
Аннотация: For cuprates of the n and p types, the effect of pressure on the electronic structure of a CuO2 layer is studied. In the calculations performed, a generalized tight-binding method is used taking into account the influence of strong electronic correlations on the electronic structure of cuprates. The results obtained demonstrate the unusual effect of pressure on the nature of quasiparticle states at the top of the valence band in p-type cuprates. As the pressure increases, the hole states in these materials cease to be Zhang-Rice singlets and become combined singlet-triplet states.

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Публикация на русском языке Влияние давления на электронную структуру купратов в режиме сильных электронных корреляций [Текст] / В. А. Гавричков, С. Г. Овчинников, Г. В. Ульм // Физ. тверд. тела. - 2007. - Т. 49 Вып. 4. - С. 580-583

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Ul'm, G. V.; Гавричков, Владимир Александрович
}
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17.

Hybrid LDA and generalized tight-binding method for electronic structure calculations of strongly correlated electron systems / M. M. Korshunov [et al.] // Phys. Rev. B. - 2005. - Vol. 72, Is. 16. - Ст. 165104, DOI 10.1103/PhysRevB.72.165104. - Cited References: 82 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
T-J MODEL
   DENSITY-FUNCTIONAL CALCULATION
   NARROW ENERGY BANDS
   MEAN-FIELD THEORY
   COULOMB INTERACTIONS
   FERMION SYSTEMS
   COPPER OXIDES
   SUPERCONDUCTORS
   LA2-XSRXCUO4
   OXYGEN
Аннотация: A hybrid scheme for the electronic structure calculations of strongly correlated electron systems is proposed. The ab initio local density approximation calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within multiband Hubbard model is calculated by the generalized tight-binding method, which combines the exact diagonalization of the model Hamiltonian for a small cluster (unit cell) with perturbation treatment of the intercluster hopping and interactions. For undoped La2CuO4 and Nd2CuO4 this scheme results in charge transfer insulators with correct values of gaps and dispersions of bands in agreement with the angle-resolved photoemission data.

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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 of Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
Institute of Metal Physics, Russian Academy of Sciences-Ural Division, 620219 Yekaterinburg GSP-170, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Nekrasov, I. A.; Pchelkina, Z. V.; Anisimov, V. I.
}
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18.

Ovchinnikov, S. G.
Electronic structure and its evolution with doping in cuprates with account for strong electron correlations / S. G. Ovchinnikov, V. A. Gavrichkov, M. M. Korshunov // Physica B. - 2005. - Vol. 359: International Conference on Strongly Correlated Electron Systems (SCES 04) (JUL 26-30, 2004, Karlsruhe, GERMANY). - P. 1168-1170, DOI 10.1016/j.physb.2005.01.311. - Cited References: 4 . - ISSN 0921-4526

РУБ Physics, Condensed Matter

Кл.слова (ненормированные):
strong electron correlations -- multiband p-d model -- spin-polaron effect
Аннотация: The electronic structure of the undoped and p- and n-type doped cuprates is studied in the framework of the multiband p-d model using the generalized tight binding method. With hole doping, an unusual in-gap state appears just at the top of the valence band with the spectral weight proportional to the doping concentration. The chemical potential dependence on the hole and electron concentration is asymmetrical and in good agreement with the experimental data. The in-gap bands have spin-polaron origin and the spectral function of this band has a form of small low-energy satellite that can be detected in ARPES measurements. (c) 2005 Elsevier B.V. All rights reserved.

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Держатели документа:
LV Kirenskii Inst Phys, RAS, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Korshunov, M. M.; Коршунов, Максим Михайлович; Овчинников, Сергей Геннадьевич
}
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19.

Gavrichkov, V. A.
Doping dependent electronic structure of cuprates and the effective low energy Hamiltonian for the magnetic pairing / V. A. Gavrichkov, M. M. Korshunov, S. G. Ovchinnikov // Int. J. Mod. Phys. B. - 2005. - Vol. 19, Is. 1-3. - P. 247-249, DOI 10.1142/S0217979205028335. - Cited References: 14 . - ISSN 0217-9792

РУБ Physics, Applied + Physics, Condensed Matter + Physics, Mathematical
Рубрики:
COPPER OXIDES
SYMMETRY
MODEL
Кл.слова (ненормированные):
electronic structure -- strong electron correlations -- magnetic mechanism of pairing -- Electronic structure -- Magnetic mechanism of pairing -- Strong electron correlations -- copper derivative -- calculation -- chemical reaction -- chemical structure -- conference paper -- correlation analysis -- electron -- electronics -- energy -- hybridization -- intermethod comparison -- magnetism -- mathematical analysis -- mathematical model
Аннотация: The properties of the normal and superconducting phases of p- and n-type cuprates are investigated in the appropriate low-energy models in the approximation beyond Hubbard I considering spin fluctuations. Calculated chemical potential dependence on doping, Fermi surface and T,(x) phase diagram for n-type cuprates are in remarkably good agreement with the experimental ones. Comparison of the singlet-triplet t-J model with simple t-J model shows that the spin-exciton mechanism originated from singlet-triplet hybridization leads to small contribution to the T-c(x) - optimal doping value becomes slightly lower and the maximum value of T-c become slightly higher.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
L. V. Kirensky Inst. Phys. S., Russian Academy of Science, Akademgorodok, 660036, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович; International Conference on New Theories, Discoveries and Applications of Superconductors and Related Materials(5 ; 2004 ; June ; 11-16 ; Chongqing, China)
}
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20.

Prediction of the in-gap states above the top of the valence band in undoped insulating cuprates due to the spin-polaron effect / S. G. Ovchinnikov [et al.] // J. Phys.: Condens. Matter. - 2004. - Vol. 16, Is. 8. - P. L93-L100, DOI 10.1088/0953-8984/16/8/L04. - Cited References: 25 . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   LA2-XSRXCUO4
   MODEL
   ANTIFERROMAGNETISM
   SPECTRA
   OXIDES
Кл.слова (ненормированные):
Quasiparticle band structure -- Spin-polaron effect -- Antiferromagnetic materials -- Approximation theory -- Doping (additives) -- Electronic structure -- Hamiltonians -- Insulation -- Magnetic fields -- Strontium compounds -- Thermal effects -- Lanthanum compounds
Аннотация: In the framework of the generalized tight binding method we have calculated the quasiparticle band structure and the spectral functions of the undoped cuprates such as La2CuO4, Sr2CUO2Cl2 etc. Due to spin fluctuations the in-gap state appears above the top of the valence band in the undoped antiferromagnetic insulator similar to in-gap states induced by hole doping. In the ARPES experiments the in-gap states can be detected as weak low energy satellites.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
L V Kirensky Institute of Physics, Siberian Branch, Russian Academy of Science, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Borisov, A. A.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Korshunov, M. M.; Коршунов, Максим Михайлович
}
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