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    Quantum phase transitions and superconductivity in single- and two-layer cuprates in the multiband theory of Hubbard fermions / S. G. Ovchinnikov [et al.] // J. Supercond. Nov. Magn. - 2013. - Vol. 26, Is. 8. - P. 2607-2609, DOI 10.1007/s10948-013-2144-1 . - ISSN 1557-1939. - ISSN 1557-1947
   Перевод заглавия: Квантовые фазовые переходы и сверхпроводимость в однослойных и двухслойных купратах в рамках многозонной теории фермионов Хаббарда
Аннотация: We consider the doping dependence of the normal and superconducting properties of La2Sr2−x CuO2 and YBa2Cu3O7 in the low energy effective model based on the ab initio LDA+GTB calculations. With doping we have found a concentration region with electronic instability of the uniform state. We have shown that two quantum phase transitions (QPT) of the Lifshitz type correspond well to the experimental phase diagram. For superconducting state we have considered both magnetic and phonon mechanisms of pairing.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Makarov, I. A.; Макаров, Илья Анатольевич; Shneyder, E. I.; Шнейдер, Елена Игоревна
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Quantum phase transitions and superconductivity in single- and two-layer cuprates in the multiband theory of Hubbard fermions / S. G. Ovchinnikov [et al.] // International conferences «Phase separation and Superstripes in High Temperature Superconductors and Related Materials (Superstripes-2012)». - 2012. - P. 128
Аннотация: We consider the doping dependence of the normal and superconducting properties of LaSrCuO and YBaCuO in the low energy effective model based on the ab initio LDA+GTB calculations. With doping we have found a concentration region with electronic instability of the uniform state. We have shown that two quantum phase transitions (QPT) of the Lifshitz type correspond well to the experimental phase diagram. For superconducting state we have considered both magnetic and phonon mechanisms of pairing.

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Nikolaev, S. N.; Shneyder, E. I.; Шнейдер, Елена Игоревна; Ettore Majorana Foundation, Centre for Scientific Culture; Rome International Center for Materials Science; International School of Solid State Physics; "Phase separation and Superstripes in High Temperature Superconductors and Related Materials", Int. Conf. (55 ; 2012 ; July ; 11-17 ; Erice (Sicily), Italy)
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Val'kov, V. V.
Effect of pressure on antiferromagnetic and superconducting ordering in systems with heavy fermions / V. V. Val'kov, A. O. Zlotnikov // Bull. Russ. Acad. Sci.: Phys. - 2012. - Vol. 76, Is. 7. - P. 733-736, DOI 10.3103/S1062873812070362. - Cited References: 7. - This work was supported by the Department of Physical Sciences, Russian Academy of Sciences (the Strong Electron Correlations Program); the Russian Foundation for Basic Research, projects nos. 100200251 and 110200741; the RFBR Sibir’, project no. 110298007; and by the federal target program Scientific and Pedagogical Personnel of an Innovative Russia, 2009–2013. . - ISSN 0022-2860
Кл.слова (ненормированные):
Antiferromagnetic orderings -- Antiferromagnetic orders -- Antiferromagnetic phasis -- Antiferromagnetics -- Cooper instability -- Effect of pressure -- External pressures -- Heavy fermion -- Impurity level -- Localized state -- Periodic Anderson model -- Seed energy -- Spin moments -- Superconducting ordering -- Superexchange interaction -- Superconductivity -- Antiferromagnetism
Аннотация: Characteristics of the superconducting and antiferromagnetic phases of heavy-fermion intermet-allides are described within a periodic Anderson model with allowance for the superexchange interaction between spin moments of the localized states. It is shown that an external pressure that changes the seed energy of an impurity level can rapidly destroy the long-range antiferromagnetic order. The development of the Cooper instability near such an order-disorder transition induces the experimentally observed state in which superconductivity coexists with the antiferromagnetic ordering. В© 2012 Allerton Press, Inc.

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Публикация на русском языке Вальков, Валерий Владимирович. Влияние давления на антиферромагнитное и сверхпроводящее упорядочение в системах с тяжелыми фермионами [Текст] / В. В. Вальков, A. O. Злотников // Изв. РАН. Сер. физич. - 2012. - Т. 76 № 7. - С. 821-824

Доп.точки доступа:
Zlotnikov, A. O.; Злотников, Антон Олегович; Вальков, Валерий Владимирович; International Interdisciplinary Symposium “Ordering in Minerals and Alloys” (14th ; 8 -13 Sept. 2011 ; Rostov-on-Don)
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Val'kov, V. V.
Lower subband splitting and superconductivity of 2D Hubbard fermions with strong intersite correlations / V. V. Val'kov, M. M. Korovushkin // Bull. Russ. Acad. Sci. Phys. - 2012. - Vol. 76, Is. 2. - P. 133-135, DOI 10.3103/S1062873812020074. - Cited References: 6. - This study was supported by Quantum Physics of Condensed Matter program of the Presidium of the Russian Academy of Sciences; the Russian Foundation for Basic Research, project np. 10-02-00251; the federal target program Scientists and Science Teachers of an Innovate Russia, 2009-2013; the Siberian Branch of the Russian Academy of Sciences, complex integration project no. 53; RF Presidential Grant MK-1300.2011.2; and the Siberian Branch of the Russian Academy of Sciences' Lavrent'ev Competition for Young Scientists. . - ISSN 1062-8738
Кл.слова (ненормированные):
Coulomb correlations -- Doping levels -- Electron structures -- Fermi state -- Hubbard -- Intersite correlation -- Mean-square fluctuations -- Spectral intensity -- Split-off band -- Subbands -- Natural sciences
Аннотация: The effect of the strong intersite Coulomb correlations on the formation of an electron structure in the Shubin-Vonsowsky model in the regime of strong one-site correlations is studied. The results reveal a split-off band of the Fermi states. The spectral intensity of this band grows with the enhancement of the doping level and is determined by the mean-square fluctuation of occupation numbers. This changes the structure of the electron density of states qualitatively. © 2012 Allerton Press, Inc.

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Публикация на русском языке Вальков, Валерий Владимирович. Расщепление нижней подзоны и сверхпроводимость 2D-фермионов Хаббарда при сильных межузельных корреляциях [Текст] / В. В. Вальков, М. М. Коровушкин // Изв. РАН. Сер. физич. - 2012. - Т. 76 № 2. - С. 158-160

Доп.точки доступа:
Korovushkin, M. M.; Коровушкин, Максим Михайлович; Вальков, Валерий Владимирович; International Symposium "Nanophysics and Nanoelectronics-2011" (March 2011 ; Nizhni Novgorod)
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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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Prediction and theoretical investigation of new 2D and 3D periodical structures, having graphene-like bandstructures / A. S. Fedorov [et al.] // Phys. Status Solidi B. - 2015. - Vol. 252, Is. 11. - P. 2407-2411, DOI 10.1002/pssb.201552226. - Cited References: 27. - This work was supported by the Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement No. 14.613.21.0010, ID RFMEFI61314 x 0010). The authors are grateful to the Joint Supercomputer Center of Russian Academy of Sciences, Moscow and Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk for the opportunity of using their computer clusters to perform the calculations . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
BRILLOUIN-ZONE INTEGRATIONS
   INITIO MOLECULAR-DYNAMICS
   AUGMENTED-WAVE METHOD
   DIRAC FERMIONS
   ELECTRON-GAS
   TRANSITION
   POINTS
Кл.слова (ненормированные):
DFT calculations -- Dirac cones -- Graphene -- Nanoparticles
Аннотация: A new family of planar nanostructures having graphene-like electronic band structure is theoretically investigated by density functional theory (DFT). Based on general perturbation theory and a tight-binding model, it was shown that graphene-like planar structures, consisting of identical nanoparticles with relatively weak contacts between them, should have an electronic band structure with Dirac cones. Two such structures, consisting of 71- or 114-silicon atom nanoparticles, were investigated by DFT using VASP software package. The band-structure calculations show the presence of Dirac cones with electron group velocity equal to 1.05 × 105 and 0.53 × 105 m/s, respectively. By generalizing the theory, a new family of 3D structures having intersecting areas with linear dispersion in the band structures was derived. As an example, the band structure of identical 25-atom silicon nanoclusters arranged in a simple cubic lattice was calculated. It was shown that the band structure has features similar to the Dirac cones.

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Держатели документа:
Kirensky Institute of Physics, Akademgorodok 50, Krasnoyarsk, Russian Federation
Siberian Federal University, av. Svobodny 79, Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, av. Leninskiy 4, Moscow, Russian Federation

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Visotin, M. A.
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Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry / A. A. Kuzubov [et al.] // Comput. Mater. Sci. - 2016. - Vol. 112, Part A. - P. 269-275, DOI 10.1016/j.commatsci.2015.11.002. - Cited References: 39. - The authors would like to thank Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; and L.V. Kirensky Institute of Physics of SB RAS, Krasnoyarsk, for providing the access to their supercomputers. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K). . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
Рубрики:
INITIO MOLECULAR-DYNAMICS
   MASSLESS DIRAC FERMIONS
   GRAPHENE
   VACANCIES
   POINTS
   GAS
Кл.слова (ненормированные):
Bigraphene -- Spintronics -- Transition metal -- Adsorption -- Migration
Аннотация: First-row transition metal atoms adsorption on bigraphene monovacancy was studied within the framework of DFT in periodic boundary conditions. Electronic and magnetic properties of composites were analyzed and their potential utilization in spintronics was discussed. Barriers of metal atoms migration from bigraphene surface to the interlayer space through the vacancy were estimated in order to consider both thermodynamic and kinetic aspects of composites experimental preparation. Formation of metal atoms inner-sorbed on bigraphene was found to demand harsh synthesis conditions; whereas outer-sorbed composites demonstrate significantly higher degree of spin polarization which makes them perspective for usage in spintronic devices. © 2015 Elsevier B.V.

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Держатели документа:
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
L.V. Kirensky Institute of Physics, 50 Akademgorodok, Krasnoyarsk, Russian Federation
Kyungpook National University, 80 Daehakro, Bukgu, Daegu, South Korea

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Avramov, P. V.; Аврамов, Павел Вениаминович; Nikolaeva, K. M.; Mikhaleva, N. S.; Kovaleva, E. A.; Kuklin, A. V.; Куклин, Артем Валентинович; Fedorov, A. S.; Федоров, Александр Семенович
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Val'kov, V. V.
Superconducting phase with the (d + id) order parameter in an ensemble of Hubbard fermions on the triangular lattice / V. V. Val’kov, T. A. Val’kova, V. A. Mitskan // JETP Letters. - 2015. - Vol. 102, Is. 6. - P. 361-366, DOI 10.1134/S0021364015180162. - Cited References: 18. - This work was supported by the Russian Foundation for Basic Research, project nos. 13-02-00523 and 14-02-31237 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary

Аннотация: In the framework of the t–J 1–J 2–V model, the integral equation determining the order parameter Δ(p) of the superconducting phase is derived for an ensemble of strongly correlated fermions on a triangular lattice using the diagram technique for the Hubbard operators. Taking into account the interaction between the Hubbard fermions within two coordination spheres, we demonstrate that the exact analytical solution Δ2(p) of this equation for the superconducting phase with the ((dx2−y2+idxy) symmetry can be expressed as a superposition of two chiral basis functions. This gives rise to a new set of nodal points for the complex parameter Δ2(p). Moreover, at some critical value x c of the charge carrier density, we obtain a gapless phase with six Dirac points. The passing of x through x = x c is accompanied by the topological quantum transition corresponding to the change in the topological parameter Q.

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Публикация на русском языке Вальков, Валерий Владимирович. Сверхпроводящая фаза ансамбля фермионов Хаббарда с киральным (d+id) параметром порядка на треугольной решетке [Текст] / В. В. Вальков, Т. А. Валькова, В. А. Мицкан // Письма в ЖЭТФ : Наука, 2015. - Т. 102 Вып. 5-6. - С. 399-404

Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Val’kova, T. A.; Mitskan, V. A.; Мицкан, Виталий Александрович; Вальков, Валерий Владимирович
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Val'kov, V. V.
Symmetry properties of the phase of coexistence of superconductivity and antiferromagnetism in 2D systems with strong electron correlations / V. V. Val’kov, A. O. Zlotnikov // J. Surf. Invest. - 2016. - Vol. 10, Is. 1. - P. 58-67, DOI 10.1134/S1027451016010195. - Cited References: 33. - The work is supported by the Russian Foundation for Basic Research, project nos.13-02-00523 and 15-42-04372. A.O. Zlotnikov is also grateful for the Grant Program for Young PhDs supported by the President of the Russian Federation, project no. SP-1370.2015.5 . - ISSN 1027-4510
Кл.слова (ненормированные):
superconductivity -- antiferromagnetism -- two-dimensional systems -- strong electron correlations -- heavy fermions -- cerium-based intermetallic compounds -- periodic Anderson model
Аннотация: Using the diagram technique for Hubbard operators, the effect of quasi-two-dimensionality and hybridization of the 4f electrons of cerium ions and p electrons of indium ions on the properties of the antiferromagnetic, superconducting, and mixed phases in heavy-fermion intermetallic compounds of cerium is studied. It is shown that taking into account quasi-two-dimensionality, low-energy hybridization processes renormalize the antiferromagnetic and superconducting order parameters in the broken time-reversal symmetry phase. Estimates of the critical temperatures of antiferromagnetic ordering and Cooper instability, obtained by the developed approach, are in good agreement with experimental data for cerium-based intermetallic compounds. © 2016, Pleiades Publishing, Ltd.

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Публикация на русском языке Вальков, Валерий Владимирович. Симметрийные свойства фазы сосуществования сверхпроводимости и антиферромагнетизма в 2D системах с сильными электронными корреляциями [Текст] / В. В. Вальков, A. O. Злотников // Поверхность : Наука, 2016. - № 1. - С. 49-59

Доп.точки доступа:
Zlotnikov, A. O.; Злотников, Антон Олегович; Вальков, Валерий Владимирович
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10.

    Transition between large and small polaron states in the electronic structure of HTSC cuprates / I. A. Makarov [et al.] // J. Supercond. Nov. Magn. - 2016. - Vol. 29, Is. 4. - P. 1063-1068, DOI 10.1007/s10948-016-3375-8. - Cited References:10. - This work was funded by RFBR according to the research projects No. 13-02-01395 a and No. 14-02-31677 mol_a. . - ISSN 1557-1939. - ISSN 1557-1947
   Перевод заглавия: Переход между состояниями большого и малого полярона в электронной структуре ВТСП купратов

РУБ Physics, Applied + Physics, Condensed Matter
Рубрики:
SUPERCONDUCTIVITY
Кл.слова (ненормированные):
Cuprates -- Strong electron correlations -- Electron-phonon interaction -- Polaron -- Franck-Condon process -- Hubbard fermions -- Band structure
Аннотация: The effect of strong electron correlations (SEC) and strong electron-phonon interaction (EPI) on the electronic structure of cuprates is studied within the polaronic version of the generalized tight binding method. Both diagonal and off-diagonal EPI in terms of ionic coordinates are considered.

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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; RFBR [13-02-01395 a, 14-02-31677 mol_a]
}
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