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Avramov, P. V.
Underestimating the width of the bandgap in the electronic spectra of La2CuO4 / P. V. Avramov, S. G. Ovchinnikov // Phys. Solid State. - 1997. - Vol. 39, Is. 3. - P. 389-391, DOI 10.1134/1.1129865. - Cited References: 9 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
SUPERCONDUCTIVITY
Аннотация: It is shown that the width of the bandgap determined by the simultaneous analysis of the experimental photoelectron and inverse photoemission spectra of the surface of La2CuO4 using a common energy scale is underestimated by 1 eV. The electronic and satellite structures of the spectra of La2CuO4 are calculated on the basis of the multiband p-d model and the sudden perturbation approximation. It is shown that shakedown processes shift the one-electron contour of the final two-hole configuration of the photoelectron spectrum 1 eV down the energy scale and shift the contour of the final d(10) configuration of the inverse photoemission spectrum downward by 2 eV; these shifts cause the energy splitting between the filled and empty bands to be underestimated. (C) 1997 American Institute of Physics.

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Держатели документа:
L. V. Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
ИФ СО РАН

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Аврамов, Павел Вениаминович
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    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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Makarov, I. A.
Temperature dependence of the electronic structure of La2CuO4 in the multielectron LDA+GTB approach / I. A. Makarov, S. G. Ovchinnikov // J. Exp. Theor. Phys. - 2015. - Vol. 121, Is. 3. - P. 457-464, DOI 10.1134/S1063776115090174. - Cited References: 38. - The work was supported by the Russian Science Foundation (project no. 14-12-00061) . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
Copper oxides
   Model
   Superconductivity
   Excitations
   Instability
   Spectrum
   States
   Order
Аннотация: The band structure of La2CuO4 in antiferromagnetic and paramagnetic phases is calculated at finite temperatures by the multielectron LDA+GTB method. The temperature dependence of the band spectrum and the spectral weight of Hubbard fermions is caused by a change in the occupation numbers of local multielectron spin-split terms in the antiferromagnetic phase. A decrease in the magnetization of the sublattice with temperature gives rise to new bands near the bottom of the conduction band and the top of the valence band. It is shown that the band gap decreases with increasing temperature, but La2CuO4 remains an insulator in the paramagnetic phase as well. These results are consistent with measurements of the red shift of the absorption edge in La2CuO4 with increasing temperature. © 2015, Pleiades Publishing, Inc.

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Публикация на русском языке Макаров, Илья Анатольевич. Температурная зависимость электронной структуры La2CuO4 в многоэлектронном подходе LDA+GTB [Текст] / И. А. Макаров, С. Г. Овчинников // Журн. эксперим. и теор. физ. : Наука, 2015. - Т. 148 Вып. 3. - С. 526-534

Держатели документа:
Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Макаров, Илья Анатольевич
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    Structural and magnetic properties of Fe1−xCoxSe1.09 nanoparticles obtained by thermal decomposition / O. A. Li [et al.] // Mater. Res. Express. - 2015. - Vol. 2, No. 12. - Ст. 126501, DOI 10.1088/2053-1591/2/12/126501. - Cited References: 30. - This work is supported by the Ministry of Science and Technology of Taiwan (MOST103-2811-M-153 -001 and MOST102-2112-M-153 -002 -MY3). . - ISSN 2053-1591
   Перевод заглавия: Структурные и магнитные свойства наночастиц Fe1−xCoxSe1.09, полученных тепловым разложением

РУБ Materials Science, Multidisciplinary
Рубрики:
X-RAY-DIFFRACTION
   MOSSBAUER-SPECTROSCOPY
   CRYSTAL-STRUCTURES
   IRON SELENIDES
   SUPERCONDUCTIVITY
   FeSe
   MARCASITE
   PYRITE
Кл.слова (ненормированные):
nanoparticles -- chalcogenide -- iron-cobalt selenide -- ferrimagnetism -- paramagnetism -- Mossbauer spectroscopy
Аннотация: A series of Fe1−xCoxSe1.09 (x = 0 to ) nanoparticles were synthesized by thermal decomposition method. Particles in composition range Fe0.5Co0.5Se1.09 to CoSe1.09 crystallized in monoclinic structure of Co6.8Se8 , while FeSe1.09 crystallized in hexagonal structure of FeSe achavalite. Magnetization dependences on temperature and external magnetic field reveal complicated magnetic behavior and correspond to the sum of paramagnetic and superparamagnetic response. Mössbauer spectra contain several paramagnetic doublets with parameters corresponding to nonequivalent positions of divalent and trivalent iron cations with low spin. The nonequivalent positions appeared due to inhomogeneous distribution of Co ions or metal vacancies in iron surrounding.

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Доп.точки доступа:
Li, Oksana A.; Lin, Chun-Rong; Chen, Hung-Yi; Hsu, Hua-Shu; Wu, Kai-Wun; Tseng, Yaw-Teng; Bayukov, O. A.; Баюков, Олег Артемьевич; Edelman, I. S.; Эдельман, Ирина Самсоновна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shih, Kun-Yauh
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Strong spin triplet contribution of the first removal state in the insulating regime of Bi2Sr2Ca1-xYxCu2O8+delta / C. . Janowitz [et al.] // JETP Letters. - 2004. - Vol. 80, Is. 11. - P. 692-696, DOI 10.1134/1.1862796. - Cited References: 18 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
ELECTRONIC-STRUCTURE
   APICAL OXYGEN
   MODEL
   SUPERCONDUCTIVITY
   ONSET
Аннотация: The experimental dispersion of the first removal state in the insulating Bi2Sr2Ca1 - xYxCu2O8 + delta regime is found to differ significantly from that of other parent materials: oxyclorides and La2CuO4. For Y contents of 0.92 greater than or equal to x greater than or equal to 0.55 due to nonstoichiometric effects in the Bi-O layers, the hole concentration in the CuO2 layers is almost constant and, on the contrary, the crystal lattice parameters a, b, c change very strongly. This (a, b) parameter increase and c parameter decrease results in an unconventional three peak structure at (0, 0), (pi/2, pi/2), (pi, pi) for x = 0.92. We can describe the experimental data only beyond the framework of the three-band p-d-model involving the representations of a new triplet counterpart for the Zhang-Rice singlet state. (C) 2004 MAIK "Nauka/Interperiodica".

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Держатели документа:
Humboldt Univ, Inst Phys, D-12489 Berlin, Germany
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Institute of Physics, Humboldt University of Berlin, 12489 Berlin, Germany
Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Janowitz, C.; Seidel, U.; Unger, RST; Krapf, A.; Manzke, R.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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    Revisiting the BaBiO3 semiconductor photocatalyst: synthesis, characterization, electronic structure, and photocatalytic activity / D. S. Shtarev, A. V. Shtareva, R. Kevorkyants [et al.] // Photochem. Photobiol. Sci. - 2021. - Vol. 20, Is. 9. - P. 1147-1160, DOI 10.1007/s43630-021-00086-y. - Cited References: 48. - We wish to thank the Russian Science Foundation for a Grant (Project No. 19-73-10013) in support of our study. The authors are also grateful to the staff of the following Institutes/Centers for their valuable technical assistance and in providing the needed equipment: (i) the Khabarovsk Innovation and Analytical Center of the Yu. A. Kosygin Institute of Tectonics and Geophysics FEB RAS; and (ii) the Resource Centers of the Research Park at Saint-Petersburg State University, especially the Center for Physical Methods of Surface Investigation and the Nanophotonics Center. One of us (NS) is grateful to the staff of the PhotoGreen Laboratory of the University of Pavia, Italy, for their continued hospitality . - ISSN 1474-905X. - ISSN 1474-9092
   Перевод заглавия: Новый анализ полупроводникового фотокатализатора BaBiO3: синтез, характеристика, электронная структура и фотокаталитическая активность

РУБ Biochemistry & Molecular Biology + Biophysics + Chemistry, Physical
Рубрики:
RHODAMINE-B
   OXIDE
   DRIVEN
   SUPERCONDUCTIVITY
   PSEUDOPOTENTIALS
Кл.слова (ненормированные):
Barium bismuthate -- Visible-light-active photocatalyst -- Photocatalytic activity -- Bandgaps -- Flatband potentials
Аннотация: This article revisits the properties of BaBiO3 examined extensively in the last two decades because of its electronic properties as a superconductor and as a semiconductor photocatalyst. Solid-state syntheses of this bismuthate have often involved BaCO3 as the barium source, which may lead to the formation of BaBiO3/BaCO3 heterostructures that could have an impact on the electronic properties and, more importantly, on the photocatalytic activity of this bismuthate. Accordingly, we synthesized BaBiO3 by a solid-state route to avoid the use of a carbonate; it was characterized by XRD, SEM, and EDX, while elemental mapping characterized the composition and the morphology of the crystalline BaBiO3 and its thin films with respect to structure, optoelectronic, and photocatalytic properties. XPS, periodic DFT calculations, and electrochemical impedance spectroscopy ascertained the electronic and electrical properties, while Raman and DRS spectroscopies assessed the relevant optical properties. The photocatalytic activity was determined via the degradation of phenol in aqueous media. Although some results accorded with earlier studies, the newer electronic structural data on this bismuthate, together with the photocatalytic experiments carried out in the presence of selective radical trapping agents, led to elucidating some of the mechanistic details of the photocatalytic processes that previous views of the BaBiO3 band structure failed to address or clarify. Analytical refinement of the XRD data inferred the as-synthesized BaBiO3 adopted the C2/m symmetry rather than the I2/m structure reported earlier, while Tauc plots from DRS spectra yielded a bandgap of 2.05 eV versus the range of 1.1–2.25 eV reported by others; the corresponding flatband potentials were 1.61 eV (EVB) and − 0.44 eV (ECB). The photocatalytic activity of BaBiO3 was somewhat greater than that of the well-known Evonik P25 TiO2 photocatalyst under comparable experimental conditions.

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Держатели документа:
Far Eastern Fed Univ, Lab Thin Film Technol, Ajax Bay 10, Vladivostok 690922, Russia.
St Petersburg State Univ, Lab Thotoact Nanocomposite Mat, Ulyanovskaya 1, St Petersburg 198504, Russia.
Far Eastern State Transport Univ, Serysheva 47, Khabarovsk 680021, Russia.
Kirensky Inst Phys, Akad Gorodok 50,Bld 38, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Svobodny 79, Krasnoyarsk 660041, Russia.
Univ Pavia, PhotoGreen Lab, Dipartimento Chim, Via Taramelli 12, I-27100 Pavia, Italy.

Доп.точки доступа:
Shtarev, Dmitry S.; Shtareva, Anna, V; Kevorkyants, Ruslan; Molokeev, M. S.; Молокеев, Максим Сергеевич; Serpone, Nick; Russian Science FoundationRussian Science Foundation (RSF) [19-73-10013]
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Aplesnin, S. S.
Quantum spin liquid in the 2D anisotropic Heisenberg model with frustrated next nearest neighbor exchange / S. S. Aplesnin // Low Temp. Phys. - 1998. - Vol. 24, Is. 8. - P. 572-577 ; Физика низких температур, DOI 10.1063/1.593639. - Cited References: 25 . - ISSN 1063-777X

РУБ Physics, Applied
Рубрики:
SQUARE-LATTICE ANTIFERROMAGNETS
   VALENCE BOND STATES
   SYSTEMS
   SUPERCONDUCTIVITY
   SYMMETRY
Аннотация: The two-dimensional (2D) Heisenberg model with anisotropic exchange (Delta = 1 - J(x)/J(z)) and with negative next nearest neighbor exchange (J(2)) with S = 1/2 is investigated by using the quantum-mechanical Monte-Carlo method. The energy, magnetic moment at a site, heat capacity, and spin-spin correlation functions are calculated. The stability regions for Neel ordering of spins as well as the strip-phase and gapless quantum spin liquid are determined in the interval Delta/2 less than or equal to J(2)/ J(1)less than or equal to 1/(2 Delta). (C) 1998 American Institute of Physics. [S1063-777X(98)00808-1].

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

Доп.точки доступа:
Аплеснин, Сергей Степанович

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Kagan, M. Y.
Manifestation of the upper Hubbard band in the 2D Hubbard model at low electron density / M. Y. Kagan, V. V. Val'kov, P. . Woelfle // Low Temp. Phys. - 2011. - Vol. 37, Is. 9-10. - P. 834-839 ; Физика низких температур, DOI 10.1063/1.3670026. - Cited References: 31. - This work was supported by RFBR Grants No. 11-0200798 and 11-02-00741. . - ISSN 1063-777X

РУБ Physics, Applied
Рубрики:
2-DIMENSIONAL FERMI GAS
   LIQUID BEHAVIOR
   SPECTRAL FUNCTIONS
   TRANSITION METALS
   SUPERCONDUCTIVITY
   FERROMAGNETISM
   DIMENSIONS
   SCATTERING
   STATE
Кл.слова (ненормированные):
electron density -- electronic density of states -- Fermi liquid -- Green's function methods -- Hubbard model
Аннотация: We consider the 2D Hubbard model in the strong-coupling case (U > > W) and at low electron density (nd(2) ≪1). We find an antibound state as a pole in the two-particle T-matrix. The contribution of this pole in the self-energy reproduces a two-pole structure in the dressed one-particle Green-function similar to the Hubbard-I approximation. We also discuss briefly the Engelbrecht-Randeria mode which corresponds to the pairing of two holes below the bottom of the band for U >> W and low electron density. Both poles produce nontrivial corrections to Landau Fermi-liquid picture already at low electron density but do not destroy it in 2D.

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Держатели документа:
[Kagan, M. Yu.] PL Kapitza Inst Phys Problem, Moscow 119334, Russia
[Val'kov, V. V.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Woelfle, P.] Karlsruhe Inst Technol, Inst Theoret Condensed Matter Phys, D-76131 Karlsruhe, Germany
ИФ СО РАН
P.L. Kapitza Institute for Physical Problem, 2 ul. Kosygina, Moscow 119334, Russian Federation
Kirensky Institute of Physics, Akademgorodok, 50, bld. 38, Krasnoyarsk 660036, Russian Federation
Institute for Theoretical Condensed Matter physics, Karlsruhe Institute of Technology, Wolfgang-Gaede-Str. 1, Karlsruhe D-76131, Germany

Доп.точки доступа:
Val'kov, V. V.; Вальков, Валерий Владимирович; Woelfle, P.

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Val'kov, V. V.
Manifestation of spin-charge fluctuations in the spectral and thermodynamic properties of quasi-two-dimensional rare-earth intermetallic compounds / V. V. Val'kov, A. O. Zlotnikov // Low Temp. Phys. - 2017. - Vol. 43, Is. 2. - P. 191-199, DOI 10.1063/1.4977211. - Cited References:35. - This work was supported by RFBR (Grants Nos. 16-02-00073-a and 15-42-04372-r-Siberia-a), the Government of the Krasnoyarsk Region and the Regional Science Foundation (Ext. Agreement No. 07/16), as well as the Integrated program II.2P of SB RAS (Project No. 0358-2015-0002). One of the authors (A.O.Z.) acknowledges the support by the Presidential scholarships for young PhDs (SP-1370.2015.5). . - ISSN 1063-777X. - ISSN 1090-6517

РУБ Physics, Applied
Рубрики:
PERIODIC ANDERSON MODEL
   INTERMEDIATE-VALENCE COMPOUNDS
   MAGNETIC PHASE-DIAGRAM
   HEAVY
   SUSCEPTIBILITY
   APPROXIMATION
   ANTIFERROMAGNETISM
   SUPERCONDUCTIVITY
   LATTICE
   METALS
Аннотация: In the framework of the modified periodic Anderson model with exchange interaction in the subsystem of localized states, it is shown that spin-charge fluctuations in quasi-two-dimensional intermetallic compounds with rare-earth ions in the mixed valence state significantly affect both the spectrum of magnetic excitations and the conditions at which the antiferromagnetic phase is realized. The spectral characteristics of the phase were obtained by the method of the diagram technique for Hubbard operators in the one-loop approximation, which allows to account for the spincharge fluctuation contributions to the components of the mass and the force operators. The developed theory allowed to quantitatively describe the pressure dependence of the Neel temperature observed in a quasi-two-dimensional antiferromagnetic heavy-fermion intermetallic compound CeRhIn5. Published by AIP Publishing.

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Публикация на русском языке Вальков, Валерий Владимирович. Проявление спин-зарядовых флуктуаций в спектральных и термодинамических свойствах квазидвумерных редкоземельных интерметаллидов [Текст] / В. В. Вальков, A. O. Злотников // Физ. низк. температур : Физико-технический институт низких температур им. Б. И. Веркина НАН Украины, 2017. - Т. 43 Вып. 2. - С. 233-244

Доп.точки доступа:
Zlotnikov, A. O.; Злотников, Антон Олегович; Вальков, Валерий Владимирович; RFBR [16-02-00073-a, 15-42-04372-r-Siberia-a]; Government of the Krasnoyarsk Region; Regional Science Foundation [07/16]; Integrated program II.2P of SB RAS [0358-2015-0002]; Presidential scholarships for young PhDs [SP-1370.2015.5]
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10.

    Aksenov, S. V.
    Majorana modes in BDI-class wire with strong Coulomb correlations / S. V. Aksenov, A. O. Zlotnikov, M. S. Shustin. - Electronic text data // ArXiv. - 2019. - Ст. 1911.01035. - Cited References: 55. - We acknowledge fruitful discussions with V.V. Valkov and V.A. Mitskan. The reported study was funded by the RAS Presidium programs for fundamental research Nos. 12 and 32, Russian Foundation for Basic Research (projects Nos. 18-32-00443, 19-02-00348), Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects: ”The manifestation of Coulomb interactions and effects of bounded geometry in the properties of topological edge states of nanostructures with spin-orbit interaction” (No. 18-42-243017), ”Coulomb interactions in the problem of Majorana modes in low-dimensional systems with nontrivial topology” (No. 19-42-240011). S.A. and A.Z. are grateful to the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools, projects Nos. MK-3722.2018.2, MK-3594.2018.2.
Рубрики:
Mesoscale and Nanoscale Physics
   Strongly Correlated Electrons
   Superconductivity
Аннотация: In this study the problem of strong Coulomb interactions in topological superconducting wire is analyzed by means of the density-matrix-renormalization-group (DMRG) approach. To obtain the topological phase diagrams and analyze properties of edge states in the BDI-class structure the quantity called Majorana polarization is used. Its behavior agrees with the entanglement-spectrum degeneracy which has topological nature. The DMRG calculations for the Shubin-Vonsovsky-type model of the wire show the transformation of phases with Majorana single and double modes (MSMs and MDMs, respectively) under the increase of on- and inter-site correlations. In particular, the effects of MSM and MDM robustness as well as their induction are observed. It is shown that in the strongly correlated regime the contributions of single-particle excitations to the Majorana-type states significantly decrease if averaged on-site spin-dependent concentrations have comparable values. Moreover, the t−J∗−V-model is derived allowing to study the effective interactions and improve the DMRG numerics. In order to demonstrate the key role of spin and charge fluctuations in the revealed effects we analytically consider the limiting case of the effective Hamiltonian with infinitely strong on-site repulsion using the Hubbard-I approximation. Finally, the ways to probe the MSMs and MDMs via the features of caloric functions are discussed.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Zlotnikov, A. O.; Злотников, Антон Олегович; Shustin, M. S.; Шустин, Максим Сергеевич; Аксенов, Сергей Владимирович
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