Библиотека института физики им. Л.В. Киренского СО РАН

Главная

Базы данных

Труды сотрудников ИФ СО РАН - результаты поиска

Вид поиска

Каталог книг и брошюр библиотеки ИФ СО РАН

Каталог журналов библиотеки ИФ СО РАН

Труды сотрудников ИФ СО РАН

Область поиска

в найденном

Формат представления найденных документов:
полный	информационный	краткий

Отсортировать найденные документы по:
автору	заглавию	году издания	типу документа

Поисковый запрос: (<.>S=Electronic-structure<.>)

Общее количество найденных документов : 38
Показаны документы с 1 по 20

    A novel red-emitting La2CaHfO6:Mn4+ phosphor based on double perovskite structure for pc-WLEDs lighting / G. C. Xing [et al.] // CrystEngComm. - 2019. - Vol. 21, Is. 23. - P. 3605-3612, DOI 10.1039/c9ce00556k. - Cited References: 47. - This work is financially supported by the National Natural Science Foundation of China (NSFC No. 51672259). . - ISSN 1466-8033
   Перевод заглавия: Новый красный люминофор La2CaHfO6: Mn4+ на основе структуры двойного перовскита для светодиодных ламп pc-WLED

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
LUMINESCENCE PROPERTIES
   ELECTRONIC-STRUCTURE
   OPTICAL-PROPERTIES
   SITE
Аннотация: Non-rare earth doped oxides with red emission are one of the current research hotspots for achieving the warm white light range in the phosphor converted white light emitting diodes (pc-WLEDs) field. In the current work, a novel Mn4+-activated La2CaHfO6 red phosphor is reported for the first time and its crystal structure is analyzed by Rietveld refinement. The photoluminescent properties of La2CaHfO6:Mn4+ are investigated in detail with the help of diffuse refletance spectroscopy, photoluminescence spectroscopy, and temperature-dependent PL spectroscopy. Based on the diffuse refletance spectra, the calculated optical band gap for La2CaHfO6 is 4.9 eV, indicating that La2CaHfO6 could be a suitable host for activators' doping. Under 380 nm near-ultraviolet (n-UV) light excitation, the as-prepared La2CaHfO6:Mn4+ displays intense red emission centered at 693 nm. Through an accurate calculation of Dq/B (2.47) and nephelauxetic effect β1 (0.949), the origination of strong crystal field (CF) and deep-red emission is demonstrated. By combining the representative La2CaHfO6:0.002Mn4+, blue BAM:Eu2+, and green (Ba,Sr)2SiO4:Eu2+ phosphors with a 380 nm UV chip to fabricate the pc-WLEDs device, a white light is obtained with low correlated color temperature (CCT = 5165 K) and high color rendering index (Ra = 87.8), demonstrating that the as-prepared La2CaHfO6:Mn4+ phosphors can be used as red-emitting candidate in pc-WLEDs lighting.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Держатели документа:
China Univ Geosci, Fac Mat Sci & Chem, Minist Educ, Engn Res Ctr Nanogeomat, 388 Lumo Rd, Wuhan 430074, Hubei, Peoples R China.
FRC KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Xing, Gongcheng; Feng, Yuxin; Gao, Zhiyu; Tao, Mengxuan; Wang, Hongquan; Wei, Y.i.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Li, Guogang
}
Найти похожие

Ab initio and empirical modeling of lithium atoms penetration into silicon / N. S. Mikhaleva [et al.] // Comput. Mater. Sci. - 2015. - Vol. 109. - P. 76-83, DOI 10.1016/j.commatsci.2015.06.024. - Cited References: 69. - The authors would like to thank the Institute of Computational Modeling SB RAS, Krasnoyarsk, Information Technology Centre Novosibirsk State University, for providing access to their computational resources. The reported study was supported by RFBR, research project No. 14-02-31071, 14-02-31309, 12-02-00640, by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project No. NSh-2886.2014.2), Increase Competitiveness Program of NUST "MISiS" (No. K2-2015-033). The authors also would like to thank Prof. Stephan Irle and L.R. Moskvina for fruitful discussions and helpful ideas. . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
Рубрики:
LONG CYCLE LIFE
   CORE-LEVEL SPECTROSCOPY
   CARBON-COATED SILICON
   AUGMENTED-WAVE METHOD
   ION BATTERIES
   MOLECULAR-DYNAMICS
   INTERATOMIC POTENTIALS
   ELECTRONIC-STRUCTURE
   CRYSTALLINE SILICON
   SI(100)2X1 SURFACE
Кл.слова (ненормированные):
Li-ion batteries -- Silicon -- Surface diffusion -- Li diffusion -- Density functional theory -- Molecular dynamics
Аннотация: A process of lithium atoms penetration into silicon (1 0 0) subsurface layers was investigated with the help of DFT method. It was shown that, while the concentration of lithium adatoms on reconstructed (1 0 0) silicon surface is low, the bonding energy of lithium atoms in the subsurface layers is smaller than the bonding energy on the surface, so lithium atoms are unlikely to migrate into the crystal. When the (1 0 0) silicon surface is covered by 2 layers of lithium, migration into the subsurface layer becomes favorable. In addition to this, the reconstruction of the surface changes to the form with symmetric dimers as the concentration increases. Thus, all possible lithium migration paths become energy-wise equal, so the rate of lithium atom transfer into silicon crystal rises. In addition to the ab initio calculations, an ad-hoc empirical interatomic potential was developed and the kinetics of lithium diffusion into silicon were studied. It was shown that lithium penetration proceeds in a layer-by-layer way with a sharp border between undoped and lithiated silicon. This is accounted for the fact that, once a tetrahedral interstice is occupied by a lithium atom, the migration barriers between the adjacent interstices become lower and the rate of diffusion increases. © 2015 Elsevier B.V. All rights reserved.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Держатели документа:
L.V. Kirensky Institute of Physics SB RAS, 50 bld. 38 Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, Russian Federation

Доп.точки доступа:
Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович
}
Найти похожие

An analysis of the mechanism of Kerr effect enhancement in Mn/Dy/Bi / S. G. Ovchinnikov [et al.] // Phys. Solid State. - 1999. - Vol. 41, Is. 1. - P. 80-86, DOI 10.1134/1.1130733. - Cited References: 35 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   THIN-FILMS
   MAGNETIC-PROPERTIES
   RARE-EARTH
   MAGNETOOPTICAL PROPERTIES
   MNBI FILMS
   STABILITY
   GD
Аннотация: A study is reported of the structural, magnetic, and magneto-optic properties of Mn/Dy/Bi films obtained by multilayer technology. The maximum Kerr rotation angle in such films is shown to be theta(k) = 2.25 degrees. Possible reasons for such a large Kerr effect enhancement are considered, namely, an increase in the 6p - 3d transition probability caused by symmetry distortion, polarization of the Bi6p band, and a change in the density of states near the Fermi level. The latter reason has been analyzed by simulating the electronic structure of Mn/Dy/Bi through superposition of Dy levels on the MnBi band structure. This approach has revealed possible additional transitions which may be induced by the presence of a Dy buffer and could contribute to the Kerr magneto-optic effect. (C) 1999 American Institute of Physics. [S1063=7834(99)02001-8].

WOS,
Scopus,
Читать в сети ИФ

Публикация на русском языке Анализ механизма увеличения эффекта Керра в Mn/Dy/Bi [Текст] / С. Г. Овчинников [и др.] // Физ. тверд. тела. - С.-Петербург, 1999. - Т. 41 Вып. 1. - С. 91-97

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

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Burkova, L. V.; Буркова, Людмила Викторовна; Seredkin, V. A.; Середкин, Виталий Александрович; Yakovchuk, V. Y.
}
Найти похожие

Another mechanism for the insulator-metal transition observed in Mott insulators / A. G. Gavriliuk [et al.] // Phys. Rev. B. - 2008. - Vol. 77, Is. 15. - Ст. 155112, DOI 10.1103/PhysRevB.77.155112. - Cited References: 26 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   SPIN TRANSITION
   HIGH-PRESSURES
   GDFE3(BO3)(4)
Аннотация: The two widely accepted mechanisms of the insulator-metal Mott-Hubbard transitions which have been considered up until now are driven by the band-filling or bandwidth effects. We found a different mechanism of the Mott-Hubbard insulator-metal transition, which is controlled instead by the changes in the Mott-Hubbard energy U. In contrast to the changes in the bandwidth W in the "bandwidth control" scenario or to the variations of the band-filling n parameter in the "band-filling" scenario, a dramatic decrease in the Mott-Hubbard energy U plays the key role in this mechanism. We have experimentally observed this type of the insulator metal transition in the transition metal oxide BiFeO(3). The decrease in the Mott-Hubbard energy is caused by the high-spin-low-spin crossover in the electronic d shell of 3d transition metal ion Fe(3+) with d(5) configuration under high pressure. The pressure-induced spin crossover in BiFeO(3) was investigated and confirmed by synchrotron x-ray diffraction, nuclear forward scattering, and x-ray emission methods. The insulator-metal transition at the same pressures was found by the optical absorption and dc resistivity measurements.

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
[Gavriliuk, Alexander G.
Struzhkin, Viktor V.] Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA
[Gavriliuk, Alexander G.
Lyubutin, Igor S.] Russian Acad Sci, Inst Crystallog, Moscow 119333, Russia
[Gavriliuk, Alexander G.] RAS, Inst High Pressure Phys, Moscow 142190, Russia
[Ovchinnikov, Sergey G.] Russian Acad Sci, Siberian Div, Inst Phys, Krasnoyarsk 660036, Russia
[Ovchinnikov, Sergey G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Hu, Michael Y.
Chow, Paul] HPCAT, Argonne, IL 60439 USA
[Hu, Michael Y.
Chow, Paul] ANL, APS, Carnegie Inst Washington, Argonne, IL 60439 USA
ИФ СО РАН
Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Road NW, Washington, DC 20015, United States
Institute of Crystallography, Russian Academy of Sciences, Leninsky Prospekt 59, Moscow 119333, Russian Federation
Institute for High Pressure Physics, RAS, Troitsk, 142190, Russian Federation
Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Krasnoyarsk 660041, Russian Federation
HPCAT, Carnegie Institution of Washington, APS, Argonne, IL 60439, United States

Доп.точки доступа:
Gavriliuk, A. G.; Struzhkin, V. V.; Lyubutin, I. S.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Hu, M. Y.; Chow, P.
}
Найти похожие

Aplesnin, S. S.
Effect of bond fluctuations on the transport properties of manganites and nickelates / S. S. Aplesnin // J. Exp. Theor. Phys. - 2007. - Vol. 104, Is. 5. - P. 766-774, DOI 10.1134/S1063776107050111. - Cited References: 26 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
NEUTRON-DIFFRACTION
   CHARGE DISPROPORTIONATION
   ELECTRONIC-STRUCTURE
   MAGNETIC ORDER
   TRANSITIONS
   PEROVSKITES
   PRNIO3
   GAP
Кл.слова (ненормированные):
Crystal structure -- Manganites -- Optimization -- Thermal conductivity -- Thermal effects -- Bond fluctuations -- Nickelates -- Orthorhombic crystal structure -- Nickel compounds
Аннотация: For the manganites RMnO(3) (R = La, Pr, Nd), a mechanism is proposed to explain the anomalous temperature dependences of the kinetic coefficients, resistivity, and thermoelectric power during the transition from the pseudocubic O to the orthorhombic O' crystal structure. The contributions of the bending and stretching modes of the octahedron to the formation of thermal-conductivity maxima and to the deviation from the linear dependence of ln(rho/T) on 1/T at low temperatures have been estimated. In nickelates, the metal-insulator transition is caused by lattice-polaron pinning by the stretching mode of the octahedron, and the low-temperature anomaly of the thermal conductivity is related to electron scattering by the bending mode of the octahedron.

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, 660014, Russian Federation

Доп.точки доступа:
Аплеснин, Сергей Степанович
}
Найти похожие

Aplesnin, S. S.
Magnetoresistance effect in anion-substituted manganese chalcogenides / S. S. Aplesnin, O. B. Romanova, K. I. Yanushkevich // Phys. Status Solidi B. - 2015. - Vol. 252, Is. 8. - P. 1792-1798, DOI 10.1002/pssb.201451607. - Cited References: 35. - This study was supported by the official assignment no. 114090470016. . - ISSN 0370. - ISSN 1521-3951. -

РУБ Physics, Condensed Matter
Рубрики:
MAGNETIC-PROPERTIES
   ELECTRONIC-STRUCTURE
   SOLID-SOLUTIONS
   MnTe
   MnSe
   CONDUCTIVITY
   TRANSITION
Кл.слова (ненормированные):
Electron tunneling -- Magnetic properties -- Magnetoresistance -- Semiconductors
Аннотация: The electric and magnetic properties of anion-substituted antiferromagnetic MnSe1-xTex (0.1≤x≤0.4) semiconductors in the 77-700K temperature range and magnetic fields under 1T are studied. In the MnSe1-xTex solid solutions, negative magnetoresistance in the vicinity of the Néel temperature for x=0.1 and for composition with x=0.2 in the paramagnetic range below 270K is revealed. A dependence of the magnetic susceptibility versus the prehistory of the samples is found. The model of localized spin-polarized electrons with the localization radius depending on the magnetic field is proposed for x=0.1. In the paramagnetic range, the negative magnetoresistance and the behavior of magnetic moment are a result of orbital glass formation.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Держатели документа:
Kirensky Institute of Physics SB RAS, Akademgorodok 50, Krasnoyarsk, Russian Federation
Siberian State Aerospace University M F Reshetnev, Krasnoyarsky Rabochy Av. 31, Krasnoyarsk, Russian Federation
Scientific-Practical Materials Research Center NAS, P. Brovski Str.19, Minsk, Belarus

Доп.точки доступа:
Romanova, O. B.; Романова, Оксана Борисовна; Янушкевич, Казимир Иосифович; Yanushkevich K. I.; Аплеснин, Сергей Степанович
}
Найти похожие

Atomic structure and physical properties of fused porphyrin nanoclusters / P. V. Avramov [et al.] // J. Porphyr. Phthalocyanines. - 2014. - Vol. 18, Is. 7. - P. 552-568, DOI 10.1142/S1088424614500291. - Cited References: 66. - This work was supported by JAEA Research fellowship (P. V. A.). P. V. A. also acknowledges JAEA ASRC and Molecular Spintronics Group for hospitality and fruitful collaboration. This work was supported by the Russian Scientific Foundation, Project No. 14-13-00139. Authors are grateful for Prof. S. G. Ovchinnikov for fruitful discussions. . - ISSN 1088-4246. - ISSN 1099-1409

РУБ Chemistry, Multidisciplinary
Рубрики:
AUGMENTED-WAVE METHOD
   HOLONOMIC QUANTUM COMPUTATION
   INITIO MOLECULAR-DYNAMICS
   VAPOR ABSORPTION SPECTRA
   BORON-NITRIDE NANOTUBES
   ELECTRONIC-STRUCTURE
   REDOX REACTIONS
   EXCITED-STATES
   SPIN-STATES
   GRAPHENE
Кл.слова (ненормированные):
nanoclusters -- fused porphyrins -- electronic structure -- mechanical properties
Аннотация: The atomic and electronic structures, mechanical properties and potential barriers of formation of a set of meso–meso β–β fused porphyrin/metalloporphyrin nanopages, nanotapes, nanotubes and 2D nanofabrics were studied by GGA LC-DFT technique using cluster and PBC models. The porphyrin pages of the nanoclusters are connected with each other by graphene fragments formed by meso–meso β–β links. Fusion of all the edges of six porphyrin/metalloporphyrin units produces a novel ~ 1 nm sized molecule of cubic symmetry with a hollow cage inside. It was found that all studied nanoclusters are metastable with formation energies 0.36–7.57 kcal/mol per atom. Under applied mechanical stress, the nanoclusters exhibit superelastic and ultrastrong properties with binding graphene fragments being the weakest links for mechanical rupture. Depending on the spin-dependent reaction pathways, the hollow caged nanoclusters exhibit almost zero or low potential energy barriers (1–10 kcal/mol) during the initial stages of self-assembly. All nanoclusters exibit the main features of the electronic structures of the parent porphyrins, in particular the nature of HOMO/LUMO states and the relative energetic positions of the metal d states. The induced curvature of the hollow cage nanoclusters leads to admixture of more than 2% of the dπ⊥ states to the dσ energy region and formation of vacant superatomic molecular orbitals of d character in cubic ligand field. The Fe-derived hollow-caged nanoclusters reveal extremely high spin states with small energy differences between ferromagnetic and antiferromagnetic configurations, which can be utilized for quantum holonomic computations.

Смотреть статью,
Scopus,
WOS
Держатели документа:
Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Tomsk State Univ, Tomsk 634050, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Sakai, S.; Ohtomo, M.; Entani, S.; Matsumoto, Y.; Eleseeva, N. S.; Елисеева, Наталья Сергеевна; Pomogaev, V. A.; Naramoto, H.; JAEA Research fellowship; Russian Scientific Foundation [14-13-00139]
}
Найти похожие

    Atypical quantum confinement effect in silicon nanowires / P. B. Sorokin [et al.] // J. Phys. Chem. A. - 2008. - Vol. 112, Is. 40. - P9955-9964, DOI 10.1021/jp805069b. - Cited Reference Count: 25. - Гранты: This work was in part partially supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Technology Agency (JST) as well as by Russian Fund of Basic Researches (grant 08-02-01096) (L.A.C.). P.V.A. acknowledges the encouragement of Dr. Keiji Morokuma, Research Leader at Fukui Institute for Fundamental Chemistry. The geometry of all presented structures was visualized by ChemCraft software.SUP25/SUP L.A.C. acknowledges I. V. Stankevich for help and fruitful discussions. P.B.S. is grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for access to a cluster computer for quantum-chemical calculations. - Финансирующая организация: Japan Science and Technology Agency (JST); Russian Fund of Basic Researches [08-02-01096] . - OCT 9. - ISSN 1089-5639
Рубрики:
ELECTRONIC-STRUCTURE
   OPTICAL-PROPERTIES
   SI
   DENSITY
   WIRES
   EXCHANGE
   ATOMS
   DOTS
Кл.слова (ненормированные):
Electric wire -- Energy gap -- Gallium alloys -- Mathematical models -- Nanostructured materials -- Nanostructures -- Nanowires -- Quantum confinement -- Quantum electronics -- Semiconductor quantum dots -- Silicon -- Ami methods -- Band gaps -- Blue shifts -- Dinger equations -- Linear junctions -- Monotonic decreases -- Quantum confinement effects -- Quantum dots -- Semiempirical -- Silicon nanowires -- System sizes -- Theoretical models -- Nanocrystalline silicon -- nanowire -- quantum dot -- silicon -- article -- chemistry -- electron -- quantum theory -- Electrons -- Nanowires -- Quantum Dots -- Quantum Theory -- Silicon
Аннотация: The quantum confinement effect (QCE) of linear junctions of silicon icosahedral quantum dots (IQD) and pentagonal nanowires (PNW) was studied using DFT and semiempirical AM1 methods. The formation of complex IQD/PNW structures leads to the localization of the HOMO and LUMO on different parts of the system and to a pronounced blue shift of the band gap; the typical QCE with a monotonic decrease of the band gap upon the system size breaks down. A simple one-electron one-dimensional Schrodinger equation model is proposed for the description and explanation of the unconventional quantum confinement behavior of silicon IQD/PNW systems. On the basis of the theoretical models, the experimentally discovered deviations from the typical QCE for nanocrystalline silicon are explained.

WOS,
Scopus,
eLibrary
Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
LV Kirenskii Inst Phys, SB RAS, Krasnoyarsk 660036, Russia
RAS, N M Emanuel Inst Biochem Phys, Moscow 119334, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan
Natl Inst Adv Ind Sci & Technol, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan

Доп.точки доступа:
Sorokin, P. B.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.; Chernozatonskii, L.A.; Fedorov, D.G.
}
Найти похожие

Band-gap unification of partially Si-substituted single-wall carbon nanotubes / P. V. Avramov [et al.] // Phys. Rev. B. - 2006. - Vol. 74, Is. 24. - Ст. 245417, DOI 10.1103/PhysRevB.74.245417. - Cited References: 72 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
SILICON-CARBIDE NANOTUBES
   DENSITY-FUNCTIONAL THEORY
   TOTAL-ENERGY CALCULATIONS
   WAVE BASIS-SET
   ELECTRONIC-STRUCTURE
   AB-INITIO
   NANORODS
   EXCITATIONS
   TRANSITION
   NANOWIRES
Аннотация: The atomic and electronic structure of a set of pristine single wall SiC nanotubes as well as Si-substituted carbon nanotubes and a SiC sheet was studied by the local-density approximation (LDA) plane wave band structure calculations. Consecutive substitution of carbon atoms by Si leads to a gap opening in the energetic spectrum of the metallic (8,8) SWCNT with approximately quadratic dependence of the band gap upon the Si concentration. The same substitution for the semiconductor (10,0) single wall carbon nanotubes (SWCNT) results in a band gap minimum (0.27 eV) at similar to 25% of Si concentration. In the Si concentration region of 12-18 %, both types of nanotubes have less than 0.5 eV direct band gaps at the Gamma-Gamma point. The calculation of the chiral (8,2) SWSi0.15C0.85NT system gives a similar (0.6 eV) direct band gap. The regular distribution of Si atoms in the atomic lattice is by similar to 0.1 eV/atom energetically preferable in comparison with a random distribution. Time dependent density functional theory (DFT) calculations showed that the silicon substitution sufficiently increases (roughly by one order of magnitude) the total probability of optical transitions in the near infrared region, which is caused by the opening of the direct band gap in metallic SWCNTs, the unification of the nature and energy of the band gaps of all SWCNT species, the large values of Si3p parallel to r parallel to Si3s radial integrals and participation of Si3d states in chemical bonding in both valence and conductance bands.

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
Japan Atom Energy Res Inst, Adv Sci Res Ctr, Takasaki Branch, Takasaki, Gumma 3701292, Japan
RAS, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
RAS, Inst Biochem Phys, Moscow 119991, Russia
AIST, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
Kyoto Univ, Dept Energy Sci & Technol, Sakyo Ku, Kyoto 6068501, Japan
ИФ СО РАН
Takasaki-branch, Advanced Science Research Center, Japan Atomic Energy Agency, Takasaki, 370-1292, Japan
L.V. Kirensky Institute of Physics SB RAS, 660036 Krasnoyarsk, Russian Federation
Institute of Biochemical Physics of RAS, 119991 Moscow, Russian Federation
Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, 305-8568, Japan
Department of Energy Science and Technology, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Sorokin, P. B.; Fedorov, A. S.; Федоров, Александр Семенович; Fedorov, D. G.; Maeda, Y.
}
Найти похожие

10.

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.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
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
}
Найти похожие

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.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

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
}
Найти похожие

12.

Evolution of the band structure of quasiparticles with doping in copper oxides on the basis of a generalized tight-binding method / V. A. Gavrichkov [et al.] // J. Exp. Theor. Phys. - 2000. - Vol. 91, Is. 2. - P. 369-383, DOI 10.1134/1.1311997. - Cited References: 45 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
T-J MODEL
   CUPRATE SUPERCONDUCTORS
   ELECTRONIC-STRUCTURE
   EXCITATIONS
   DEPENDENCE
   TEMPERATURE
   DERIVATION
   SR2CUO2CL2
   SPECTRUM
   DENSITY
Аннотация: Two methods for stabilizing the two-hole B-3(1g) state as the ground state instead of the Zhang-Rice singlet are determined on the basis of an orthogonal cellular basis for a realistic multiband pd model of a CuO2 layer and the dispersion relations for the valence band top in undoped and doped cases are calculated. In the undoped case, aside from the valence band, qualitatively corresponding to the experimental ARPES data for Sr2CuO2Cl2 and the results obtained on the basis of the t-t'-J model, the calculations give a zero-dispersion virtual level at the valence band top itself. Because of the zero amplitude of transitions forming the virtual level the response corresponding to it is absent in the spectral density function. In consequence, the experimental ARPES data do not reproduce its presence in this antiferromagnetic undoped dielectric. A calculation of the doped case showed that the virtual level transforms into an impurity-type band and acquires dispersion on account of the nonzero occupation number of the two-hole states and therefore should be detected in ARPES experiments as a high-energy peak in the spectral density. The computed dispersion dependence for the valence band top is identical to the dispersion obtained by the Monte Carlo method, and the ARPES data for optimally doped Bi2Sr2CaCu2O8 + delta samples. The data obtained also make it possible to explain the presence of an energy pseudogap at the symmetric X point of the Brillouin band of HTSC compounds. (C) 2000 MAIK "Nauka/Interperiodica".

WOS,
Scopus,
Читать в сети ИФ

Публикация на русском языке Эволюция зонной структуры квазичастиц с допированием в оксидах меди в рамках обобщенного метода сильной связи [Текст] / В. А. Гавричков [и др.] // Журн. эксперим. и теор. физ. - 2000. - Т. 118 Вып. 2. - С. 422-437

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

Доп.точки доступа:
Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Borisov, A. A.; Goryachev, E. G.
}
Найти похожие

13.

Gavrichkov, V. A.
Polarized ARPES spectra of undoped cuprates / V. A. Gavrichkov, A. A. Borisov, S. G. Ovchinnikov // Phys. Solid State. - 2001. - Vol. 43, Is. 10. - P. 1876-1884, DOI 10.1134/1.1410625. - Cited References: 15 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   COPPER OXIDES
   PHOTOEMISSION
   EVOLUTION
   MODEL
   HOLE
Аннотация: The spectral density (SD) in the ARPES spectra of anti ferromagnetic (AFM) dielectrics Sr2CuO2Cl2 and Ca2CuO2Cl2 along the principal symmetry directions of the Brillouin zone was studied by the generalized tight binding method. At the valence band top of these undoped cuprates in the AFM state, there is a pseudogap of magnetic nature with E-s(k) similar to 0-0.4 eV between a virtual level and the valence band proper. The observed similarity of dispersion along the Gamma -M and X-Y directions can be explained by the proximity of the B-3(1g) triplet and the Zhang-Rice singlet levels. The value of parity of the polarized ARPES spectra at the Gamma, M, and X points calculated for the AFM phase of undoped cuprates with an allowance for the partial contributions is even. The conditions favoring observation of the partial contributions in polarized ARPES spectra are indicated. Due to the spin fluctuations, the virtual level acquires dispersion and possesses a small spectral weight. Probably, this level cannot be resolved on the background of the main quasi-particle peak as a result of the damping effects. (C) 2001 MAIK "Nauka/Interperiodica".

WOS,
Scopus,
Читать в сети ИФ
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:
Borisov, A. A.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Гавричков, Владимир Александрович
}
Найти похожие

14.

Giant red shift of the absorption spectra due to nonstoichiometry in GdCoO3–δ / S. G. Ovchinnikov [et al.] // JETP Letters. - 2016. - Vol. 103, Is. 3. - P. 161-166, DOI 10.1134/S0021364016030115. - Cited References:40. - This work was supported by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh-2886.2014.2), by the Presidium of Russian Academy of Sciences (Program 34), by the Russian Foundation for Basic Research (project nos. 16-02-00507, 16-02-00273, 16-02-00098, and 14-02-00186), and by Internationale Buro, Bundesministerium fur Bildung und Forschung (BMBF, grant no. 05K12GU2). . - ISSN 0021-3640. - ISSN 1090-6487

РУБ Physics, Multidisciplinary
Рубрики:
TRANSITION-METAL COMPOUNDS
   TOTAL-ENERGY CALCULATIONS
   AUGMENTED-WAVE METHOD
   ELECTRONIC-STRUCTURE
   MAGNETIC-PROPERTIES
   SPIN TRANSITION
   BAND-GAPS
   BASIS-SET
   LaCoO3
   OXIDES
Аннотация: The GdCoO3–δ perovskite is a semiconductor with the energy gap Eg ≈ 0.5 eV from electrical transport measurements. It reveals unusual optical absorption spectra without transparency window expected for semiconductors. Instead we have measured the narrow transmittance peak at the photon energy ε0 = 0.087 eV. To reconcile the transport and optical data we have studied the effect of oxygen vacancies on the electronic structure of the GdCoO3–δ. We have found that oxygen vacancies result in the in-gap states inside the charge-transfer energy gap of the GdCoO3. It is a multielectron effect due to strong electron correlations forming the electronic structure of the GdCoO3–δ. These in-gap states decrease the transparency window and result in a narrow absorption minimum. The predicted temperature dependence of the absorption spectra has been confirmed by our measurements.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

Публикация "на русском языке" Giant red shift of the absorption spectra due to nonstoichiometry in GdCoO3–δ [Текст] / S. G. Ovchinnikov [и др.] // Письма в Журн. эксперим. и теор. физ. : Наука, 2016. - Т. 103 Вып. 3-4. - С. 177-183

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Siberian State Technol Univ, Krasnoyarsk 660049, Russia.

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Kuzubov, A. A.; Кузубов, Александр Александрович; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Sokolov, A. E.; Соколов, Алексей Эдуардович; Zabluda, V. N.; Заблуда, Владимир Николаевич; Naumov, S. B.; Shestakov, N. P.; Шестаков, Николай Петрович; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [NSh-2886.2014.2]; Presidium of Russian Academy of Sciences [34]; Russian Foundation for Basic Research [16-02-00507, 16-02-00273, 16-02-00098, 14-02-00186]; Internationale Buro, Bundesministerium fur Bildung und Forschung (BMBF) [05K12GU2]
}
Найти похожие

15.

    Growth, Structure, and Optical Properties of Nonlinear LiGa0.55In0.45Te2 Single Crystals / P. Krinitsin [et al.] // Cryst. Growth Des. - 2019. - Vol. 19, Is. 3. - P. 1805-1814, DOI 10.1021/acs.cgd.8b01788. - Cited References: 43. - This work was supported by state assignment project #0330-2016-0008 and partially by the Russian Foundation of Basic Research (Grant Nos. 15-02-03408a, 17-45-540775r_a, and 17-52-53031), national scientific foundations of China (Grant Nos. 11474292, 51702330, 11611530680, 91622118, and 91622124), the special foundation of the director of Technical Institute of Physics and Chemistry (TIPC), the China "863" project (No. 2015AA034203) and the Youth Innovation Promotion Association, CAS (outstanding member for Z.L. and Grant 2017035 for X.J.). Some part of the experiments was performed in the multiple-access center "High-Resolution Spectroscopy of Gases and Condensed Matter" at the IA&E SBRAS (Novosibirsk, Russia). The authors are grateful to N. F. Beisel from the Analytical laboratory of the Nikolaev Institute of Inorganic Chemistry SB RAS for atomic-emission spectral analysis of the studied crystals. . - ISSN 1528-7483. - ISSN 1528-7505
   Перевод заглавия: Синтез, структура и оптические свойства нелинейнооптического кристалла LiGa0.55In0.45Te2

РУБ Chemistry, Multidisciplinary + Crystallography + Materials Science, Multidisciplinary
Рубрики:
PHASE-MATCHING PROPERTIES
ELECTRONIC-STRUCTURE
MID-IR
Аннотация: In search of new nonlinear optical crystals for the mid-IR range, we grew single crystals of LiGa0.55In0.45Te2 (LGITe) of optical quality; its structure was established, and the spectroscopic properties were studied. LGITe crystallizes in a tetragonal chalcopyrite-like (I4̅2d) structure at 667 ± 5 °C. Crystals are transparent in the 0.76–14.8 μm spectral region with some absorption bands related to OH/H2O and Ge–O vibrations. Analysis of the Tauc plots showed that LGITe is a direct band gap semiconductor with the band gap Eg = 1.837 eV at 300 K. The Raman spectrum for LGITe is very similar to that for LiGaTe2: the most intense band A1 near 120 cm–1 corresponds to the Li–Te vibration. DFT calculations were carried out for the first time to simulate the energy band structure (band gap ∼1.67 eV), density of states (DOS), birefringence (0.049 at 2 μm), and nonlinear susceptibility (d14 = d36 = −48.73 pm/V). For ternary LiInTe2 these parameters are Δn = 0.007 and d14 = d36 = −61.4 pm/V, respectively. The calculated optical properties indicate that LiGa0.55In0.45Te2 is a promising mid-IR nonlinear optical crystal with nonlinear parameters higher than those of LiGaTe2.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Держатели документа:
Sobolev Inst Geol & Mineral SB RAS, 3 Ac Koptyug Ave, Novosibirsk 630090, Russia.
Novosibirsk State Univ, 2 Pyrogova Str, Novosibirsk 630090, Russia.
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Univ Chinese Acad Sci, Beijing 100190, Peoples R China.
Inst Automat & Electrometry SB RAS, Novosibirsk 630090, Russia.

Доп.точки доступа:
Krinitsin, Pavel; Yelisseyev, Alexander; Jiang, Xingxing; Isaenko, Lyudmila; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lin, Zheshuai; Pugachev, Alexey; Russian Foundation of Basic Research [15-02-03408a, 17-45-540775r_a, 17-52-53031]; national scientific foundations of China [11474292, 51702330, 11611530680, 91622118, 91622124]; special foundation of the director of Technical Institute of Physics and Chemistry (TIPC); China "863" project [2015AA034203]; Youth Innovation Promotion Association, CAS [2017035]; [0330-2016-0008]
}
Найти похожие

16.

Intrinsic edge asymmetry in narrow zigzag hexagonal heteroatomic nanoribbons causes their subtle uniform curvature / P. V. Avramov [et al.] // J. Phys. Chem. Lett. - 2012. - Vol. 3, Is. 15. - P. 2003-2008, DOI 10.1021/jz300625t. - Cited References: 42. - This work was supported by JAEA Research fellowship (P.V.A.). P.V.A. also acknowledges JAEA ASRC and the Molecular Spintronics Group for hospitality and fruitful collaboration. D.G.F. thanks Prof. Kazuo Kitaura for many fruitful discussions and the Next Generation SuperComputing Project, Nanoscience Program and Strategic Programs for Innovative Research (MEXT, Japan) for financial support. This work was partially supported by Russian Ministry of Education and Science (Contract No. 16.552.11.7014) (P.B.S.). . - ISSN 1948-7185

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical + Boron nitride + Density functional theory + Electronic structure + Fluorine + Graphene + Orbital calculations + Quantum chemistry + Silicon carbide
Рубрики:
MOLECULAR-ORBITAL METHOD
   WALLED CARBON NANOTUBES
   GRAPHENE NANORIBBONS
   ELECTRONIC-STRUCTURE
   OPTICAL-TRANSITIONS
   SOLIDS
   BOND
   Aromatic rings
   Conical surfaces
   Finite length
   Fragment molecular orbital methods
   Graphene nanoribbons
   Intrinsic curvature
   Nanoribbons
   Out-of-plane
   Structural stress
Кл.слова (ненормированные):
zigzag nanoribbons -- hexagonal atomic lattices -- fluorine-terminated graphene
Аннотация: The atomic and electronic structure of narrow zigzag nanoribbons with finite length, consisting of graphene terminated by fluorine on one side, hexagonal (h) h-BN, and h-SiC were studied with density functional theory. It is found that the asymmetry of nanoribbon edges causes a uniform curvature of the ribbons due to structural stress in the aromatic ring plane. Narrow graphene nanoribbons terminated with fluorine on one side demonstrate a considerable out-of-plane bend, suggesting that the nanoribbon is a fraction of a conical surface. It is shown that the intrinsic curvature of the narrow nanoribbons destroys the periodicity and results in a systematic cancellation of the dipole moment. The in- and out- of-plane curvature of thin arcs allows their closure in nanorings or cone fragments of giant diameter. Using the fragment molecular orbital method, we optimized the structure of a planar giant arc and a closed ring of h-BN with a diameter of 105 nm.

Смотреть статью,
Scopus,
WoS,
Читать в сети ИФ
Держатели документа:
[Avramov, Pavel V.
Sakai, Seiji
Entani, Shiro
Ohtomo, Manabu
Matsumoto, Yoshihiro
Naramoto, Hiroshi] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan
[Avramov, Pavel V.] LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
[Fedorov, Dmitri G.] Natl Inst Adv Ind Sci & Technol, Nanosyst Res Inst, Tsukuba, Ibaraki 3058568, Japan
[Sorokin, Pavel B.] Technol Inst Superhard & Novel Carbon Mat, Troitsk 142190, Moscow Region, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Fedorov, D. G.; Sorokin, P. B.; Sakai, S.; Entani, S.; Ohtomo, M.; Matsumoto, Y.; Naramoto, H.
}
Найти похожие

17.

Kim, J.
Charge transfer and Mott-Hubbard excitations in FeBO3: An Fe K-edge resonant inelastic x-ray scattering study / J. . Kim, Y. . Shvyd'ko, S. G. Ovchinnikov // Phys. Rev. B. - 2011. - Vol. 83, Is. 23. - Ст. 235109, DOI 10.1103/PhysRevB.83.235109. - Cited References: 67. - Yu.Sh. acknowledges the long-standing effort of his colleagues from the IXS Collaborative Design Team in building MERIX instrument at the XOR-IXS 30-ID beamline at the APS, in particular, J. Hill, S. Coburn (BNL), C. Burns (WMU), E. Alp, T. Toellner, and H. Sinn (APS). He is also indebted to R. Khachatryan (APS), M. Wieczorek (APS), and A. Said (APS) for the help in manufacturing the Ge(620) analyzer. P. Siddons (BNL) is acknowledged for building the microstrip detector for the MERIX spectrometer. The help of the XOR-IXS 30-ID beamline personnel at the Advanced Photon Source: T. Roberts, A. Said, and M. Upton are greatly appreciated. Use of the Advanced Photon Source was supported by the US DOE, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. S.O. acknowledges Russian Academy of Science Physical Department program 5.7 "Strongly correlated electrons," RFFI Grant No. 09-02-00171, RFFI Grant No. 10-02-00251, and the Siberian-Ural integration Project No. 40. . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
TRANSITION-METAL COMPOUNDS
   ELECTRONIC-STRUCTURE
   OPTICAL-PROPERTIES
   ABSORPTION-SPECTRA
   EMISSION SPECTRA
   FERROMAGNET
   DEPENDENCE
   COMPLEXES
   RAMAN
Аннотация: Momentum-resolved resonant inelastic x-ray scattering (RIXS) spectroscopy has been carried out successfully at the Fe K-edge for the first time. The RIXS spectra of a FeBO3 single crystal reveal a wealth of information on similar or equal to 1-10 eV electronic excitations. The IXS signal resonates when the incident photon energy approaches the pre-edge (1s-3d) and the main-edge (1s-4p) of the Fe K-edge absorption spectrum. The RIXS spectra measured at the pre-edge and the main-edge show quantitatively different dependences on the incident photon energy, momentum transfer, photon polarization, and temperature. We present a multielectron analysis of the Mott-Hubbard (MH) and charge transfer (CT) excitations, and calculate their energies. Electronic excitations observed in the pre-edge and main-edge RIXS spectra are interpreted as MH and CT excitations, respectively. We propose the electronic structure around the chemical potential in FeBO3 based on the experimental data.

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
[Kim, Jungho
Shvyd'ko, Yuri] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA
[Ovchinnikov, S. G.] Russian Acad Sci, Kirensky Inst, Siberian Div, Krasnoyarsk 660036, Russia
[Ovchinnikov, S. G.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
ИФ СО РАН
Advanced Photon Source, Argonne National Laboratory, Argonne, IL 60439, United States
Kirensky Institute, Siberian Division, Russian Academy of Sciences, 660036, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, 660014, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shvyd'ko, Y.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
Найти похожие

18.

    Komarov, K. K.
    Effect of Coulomb repulsion on the London penetration depth in cuprate superconductors / K. K. Komarov, D. M. Dzebisashvili // Phys. Scr. - 2020. - Vol. 95, Is. 6. - Ст. 065806, DOI 10.1088/1402-4896/ab8163. - Cited References: 57. - The work was financially supported by the Russian Foundation for Basic Research (project #18-02-00837, #20-32-70059), the Government of Krasnoyarsk Region, the Krasnoyarsk Regional Science and Technology Support Fund (projects: #18-42-240014 'One-orbit effective model of an ensemble of spin-polaron quasiparticles in the problem of describing the intermediate state and pseudogap behavior of cuprate superconductors' and #18-42-243002 'Manifestation of spin-nematic correlations in spectral characteristics of electronic structure and their influence on practical properties of cuprate superconductors'). The work of KKK was supported by the Council for Grants of the President of the Russian Federation (project MK-1641.2020.2). . - ISSN 0031-8949. - ISSN 1402-4896
Рубрики:
ELECTRONIC-STRUCTURE
   SUPERFLUID DENSITY
   QUASI-PARTICLES
   2-BAND MODEL
Кл.слова (ненормированные):
strongly correlated electron systems -- Mott-Hubbard materials -- high-temperature superconductivity -- spin-charge coupling -- Coulomb repulsion -- London penetration depth
Аннотация: We study the effect of Coulomb repulsion between oxygen holes on the London penetration depth λ based on the concept of spin-polaron nature of Fermi quasiparticles in cuprates superconductors. It is shown that for the generally accepted values of the parameters of the spin-fermion model, taking into account the Coulomb interaction, both the one-site Hubbard U p and interaction between holes on the next-nearest-neighbor oxygen ions V 2, allows one to achieve a much better agreement of the calculated temperature dependencies of the value λ −2 with the experimental data in La2−x Sr x CuO4 in a wide range around optimal doping.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.

Доп.точки доступа:
Dzebisashvili, D. M.; Дзебисашвили, Дмитрий Михайлович; Комаров, Константин Константинович; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-02-00837, 20-32-70059]; Government of Krasnoyarsk Region; Krasnoyarsk Regional Science and Technology Support Fund [18-42-240014, 18-42-243002]; Council for Grants of the President of the Russian Federation [MK-1641.2020.2]
}
Найти похожие

19.

Magnetic and electrical properties of Fe1.91V0.09BO4 warwickite / A. D. Balaev [et al.] // J. Exp. Theor. Phys. - 2003. - Vol. 97, Is. 5. - P. 989-995, DOI 10.1134/1.1633954. - Cited References: 22. - This study was supported in part by the Russian Foundation for Basic Research (project no. 03-02-16286) and by the Federal Program “Integration” (project no. B0017) . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
ELECTRONIC-STRUCTURE
   CRYSTAL-STRUCTURE
   FE2OBO3
   CHAINS
   FE2BO4
   FEBO3
Кл.слова (ненормированные):
Electric conductivity -- Magnetic variables measurement -- Magnetization -- Single crystals -- Hopping conductivity -- Warwickite -- Iron compounds
Аннотация: We have performed a complex investigation of the structure and the magnetic and electrical properties of a warwickite single crystal with the composition Fe1.91V0.09BO4 . The results of Mossbauer measurements at T = 300 K indicate that there exist "localized" (Fe2+, Fe3+) and "delocalized" (Fe2.5+) states distributed over two crystallographically nonequivalent positions. The results of magnetic measurements show that warwickite is a P-type ferrimagnet below T = 130 K. The material exhibits hopping conductivity involving strongly interacting electrons. The experimental data are analyzed in comparison to the properties of the initial (unsubstituted) Fe2BO4 warwickite. The entire body of data on the electric conductivity and magnetization are interpreted on a qualitative basis. (C) 2003 MAIK "Nauka / Interperiodica".

WOS,
Scopus,
РИНЦ,
Смотреть статью,
Читать в сети ИФ

Публикация на русском языке Магнитные и электрические свойства варвикита Fe[1.91]V[0.09]BO[4] [Текст] / А. Д. Балаев [и др.] // Журн. эксперим. и теор. физ. - 2003. - Т. 124 Вып. 5. - С. 1103-1111

Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Krasnoyarsk State Tech Univ, Krasnoyarsk 660074, Russia
Univ Cologne, Inst Phys 2, D-50937 Cologne, Germany
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Krasnoyarsk State Technical University, Krasnoyarsk, 660074, Russian Federation
Physikalisches Institut II, Universitat zu Koln, 50937 Koln, Germany

Доп.точки доступа:
Balaev, A. D.; Балаев, Александр Дмитриевич; Bayukov, O. A.; Баюков, Олег Артемьевич; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Ivanova, N. B.; Иванова, Наталья Борисовна; Kazak, N. V.; Казак, Наталья Валерьевна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Abd-Elmeguid, M. M.; Rudenko, V. V.; Руденко, Валерий Васильевич
}
Найти похожие

20.

Mitskan, V. A.
Implementation of the concept of spin polaron in cuprate superconductors within the diagram technique / V. A. Mitskan, M. M. Korovushkin, D. M. Dzebisashvili // JETP Letters. - 2021. - Vol. 114, Is. 5. - P. 289-295, DOI 10.1134/S0021364021170094. - Cited References: 43. - This work was supported by the Russian Foundation for Basic Research, project nos. 18-02-00837 and 20-32-70059 . - ISSN 0021-3640. - ISSN 1090-6487

РУБ Physics, Multidisciplinary
Рубрики:
ELECTRONIC-STRUCTURE
ELEMENTARY EXCITATIONS
QUASI-PARTICLES
Аннотация: The spectral properties of an ensemble of spin-polaron quasiparticles have been studied within the spin–fermion model of cuprate superconductors using the method combining the Feynman diagram technique and the diagram technique for spin operators. It has been shown that strong spin–charge coupling results in the formation of the lower spin-polaron band separated by a wide energy gap from the band of bare holes. It has been shown that the spin-polaron band has a local minimum near the (π/2, π/2) point of the Brillouin zone. A class of diagrams for the self-energy part that have a fundamental significance for the description of the main features of the spin-polaron spectrum has been determined.

WOS,
Scopus,
WOS,
Читать в сети ИФ

Публикация на русском языке Мицкан, Виталий Александрович. Реализация концепции спинового полярона в купратных сверхпроводниках на основе диаграммной техники [Текст] / В. А. Мицкан, М. М. Коровушкин, Д. М. Дзебисашвили // Письма в ЖЭТФ. - 2021. - Т. 114 Вып. 5. - С. 339-345

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Fed Res Ctr KSC, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Korovushkin, M. M.; Коровушкин, Максим Михайлович; Dzebisashvili, D. M.; Дзебисашвили, Дмитрий Михайлович; Мицкан, Виталий Александрович
}
Найти похожие