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1.
Heller, Y. I.
4-dimensional
theory
of K0-meson decay / Y. I. Heller> // J. Phys. G. - 1987. -
Vol. 13
,
Is. 11
. - P. 1343-1353,
DOI
10.1088/0305-4616/13/11/008. - Cited References: 20 . - ISSN 0954-3899
РУБ
Physics, Nuclear + Physics, Particles & Fields
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,
Scopus
Держатели документа:
L V Kirensky Institute of Physics, USSR Academy of Sciences, Siberian Branch, 660036, Krasnoyarsk, Russian Federation
}
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2.
A hybrid quantum–classical
theory
for predicting terahertz charge-transfer plasmons in metal nanoparticles on graphene / A. S. Fedorov, E. V. Eremkin, P. O. Krasnov [et al.]> // J. Chem. Phys. - 2024. -
Vol. 160
,
Is. 4
. - Ст. 044117,
DOI
10.1063/5.0178247. - Cited References: 61. - This study was funded by the Ministry of Science and High Education of Russian Federation, Project No. FSRZ-2023-0006. The calculations of CTPs in specific NP–graphene complexes were performed within the RSF Grant No. 23-12-20007 and the Krasnoyarsk Territorial Foundation for Support of Scientific and R & D Activities, Agreement No. 256. H. Ågren was supported by the Swedish Science Research Council on Contract No. 2022-03405 . - ISSN 0021-9606. - ISSN 1089-7690
Аннотация:
Metal nanoparticle (NP) complexes lying on a single-layer graphene surface are studied with a developed original hybrid quantum–classical
theory
using the Finite Element Method (FEM) that is computationally cheap. Our
theory
is based on the motivated assumption that the carrier charge density in the doped graphene does not vary significantly during the plasmon oscillations. Charge transfer plasmon (CTP) frequencies, eigenvectors, quality factors, energy loss in the NPs and in graphene, and the absorption power are aspects that are theoretically studied and numerically calculated. It is shown the CTP frequencies reside in the terahertz range and can be represented as a product of two factors: the Fermi level of graphene and the geometry of the NP complex. The energy losses in the NPs are predicted to be inversely dependent on the radius R of the nanoparticle, while the loss in graphene is proportional to R and the interparticle distance. The CTP quality factors are predicted to be in the range ~ 10 – 100. The absorption power under CTP excitation is proportional to the scalar product of the CTP dipole moment and the external electromagnetic field. The developed
theory
makes it possible to simulate different properties of CTPs 3–4 orders of magnitude faster compared to the original FEM or the finite-difference time domain method, providing possibilities for predicting the plasmonic properties of very large systems for different applications.
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Держатели документа:
International Research Center of Spectroscopy and Quantum Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Computational Modeling SB RAS, 660036 Krasnoyarsk, Russia
Department of Physics and Astronomy, Uppsala University, Box 516, SE-751 20 Uppsala, Sweden
Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Eremkin, E. V.; Krasnov, P. O.; Gerasimov, V. S.; Agren, H.; Polyutov, S. P.
}
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3.
Gekht, R. S.
A quantum spin liquid in a two-layer triangular antiferromagnet / R. S. Gekht, I. N. Bondarenko> // J. Exp. Theor. Phys. - 2005. -
Vol. 101
,
Is. 5
. - P. 868-880,
DOI
10.1134/1.2149066. - Cited References: 43 . - ISSN 1063-7761
РУБ
Physics, Multidisciplinary
Рубрики:
ONE-DIMENSIONAL ANTIFERROMAGNETS
DIMER GROUND-STATE
MEAN-FIELD
THEORY
HEISENBERG-ANTIFERROMAGNET
SYSTEM SRCU2(BO3)(2)
PHASE-TRANSITION
GAP
FLUCTUATIONS
EXCITATIONS
LATTICE
Кл.слова (ненормированные):
Antiferromagnetic materials
--
Magnetic fields
--
Magnetization
--
Phase diagrams
--
Spectrum analysis
--
Thermodynamics
--
Analogous systems
--
Square lattices
--
Thermodynamic quantities
--
Two-layer triangular antiferromagnets
--
Quantum
theory
Аннотация:
The possibility of implementing a quantum-spin-liquid-type state in a two-layer triangular spin-1/2 antiferromagnet at T = 0 is investigated. The ratio of intra- to interlayer exchange constants (j) is found under which a transition from the classical state with 120 degrees triangular order to a quantum state with zero magnetization per site occurs; in this case, the spins of adjacent layers form singlets that are separated from triplet excitations by an energy gap. Compared with an analogous system with the square lattice, the range of j in which the classical ordered state is realized turns out to be an order of magnitude smaller due to the effects of frustration; in this case, the behavior of thermodynamic quantities is analogous, on the whole, to that in two-layer square lattices; a difference manifests itself in the behavior of the gap in the spectrum of quasiparticles in an external magnetic field h. For small fields h, a j-h phase diagram is constructed that determines the domains in which the 120 degrees and the singlet phases exist. It is established that, in the neighborhood of the second-order phase transition, the contribution, to the thermodynamic quantities, of longitudinal spin fluctuations, which are disregarded in the spin-wave description, is comparable to the contribution of transverse fluctuations. (c) 2005 Pleiades Publishing, Inc.
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Держатели документа:
Russian Acad Sci, Kirenskii Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Akademgorodok, 660036, Russian Federation
Доп.точки доступа:
Bondarenko, I. N.
}
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4.
A Surface Wave
Excitation by a Finite Phased Plane Waveguide Array with an Impedance Flange / Komarov S.A., Scherbinin V.V.> // 12th International Conference on Mathematical Methods in Electromagnetic
Theory
, 2008, Odesa, Ukraine, 2008. pp. 314-316
Доп.точки доступа:
Komarov, S. A.; Scherbinin, V. V.; Щербинин, Всеволод Владиславович
}
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5.
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.
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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
}
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6.
Zinenko, V. I.
Ab initio calculation of the ferroelectric phase transition in disordered and ordered PbSc0.5Ta0.5O3 and PbSc0.5Nd0.5O3 solid solutions with the use of a model Hamiltonian / V. I. Zinenko, N. G. Zamkova> // J. Exp. Theor. Phys. - 2008. -
Vol. 106
,
Is. 3
. - P. 542-549,
DOI
10.1134/S1063776108030138. - Cited References: 17 . - ISSN 1063-7761
РУБ
Physics, Multidisciplinary
Рубрики:
RELAXOR FERROELECTRICS
PEROVSKITES
BATIO3
PBTIO3
Кл.слова (ненормированные):
Approximation
theory
--
Ferroelectric materials
--
Hamiltonians
--
Mathematical models
--
Monte Carlo methods
--
Phase transitions
--
Ferroelectric phase transition
--
Gordon-Kim model
--
Local-mode approximation
--
Solid solutions
Аннотация:
To describe the ferroelectric phase transition in ordered and disordered PbSc0.5Ta0.5O3 (PST) and PbSc0.5Nd0.5O3 (PSN) solid solutions, a model Hamiltonian is written in the local-mode approximation, in which long-range dipole-dipole and short-range interactions of local modes are taken into account. The Hamiltonian parameters are determined from the set of energies of a series of distorted structures, calculated within the nonempirical generalized Gordon-Kim model. The statistical mechanics of the systems with a model Hamiltonian is investigated by the Monte Carlo method. It is revealed that PSN solid solutions undergo a transition to the ferroelectric rhombohedral phase through an intermediate phase, existing in a narrow temperature range. PST solid solutions undergo a ferroelectric phase transition directly from the paraelectric cubic to the ferroelectric rhombohedral phase.
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Держатели документа:
[Zinenko, V. I.
Zamkova, N. G.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Зиненко, Виктор Иванович
}
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7.
Maksimov, E. G.
Ab initio calculations of the physical properties of ionic crystals / E. G. Maksimov, V. I. Zinenko, N. G. Zamkova> // Phys. Usp. - 2004. -
Vol. 47
,
Is. 11
. - P. 1075-1099,
DOI
10.1070/PU2004v047n11ABEH001796. - Cited References: 90 . - ISSN 1063-7869
РУБ
Physics, Multidisciplinary
Рубрики:
STRUCTURAL PHASE-TRANSITION
LOCAL-FIELD CORRECTIONS
INDUCED BREATHING MODEL
ZINC-BLENDE STRUCTURE
ELECTRON-GAS
THEORY
LATTICE-DYNAMICS
MICROSCOPIC CALCULATIONS
MACROSCOPIC POLARIZATION
STATISTICAL-MECHANICS
1ST-PRINCIPLES
THEORY
Аннотация:
First-principles calculations of the physical properties of ionic crystals are reviewed. Two markedly different approaches within the framework of the density functional
theory
are described. In one of them, the electron spectrum and wave functions are treated within the standard band picture based on the solution of Kohn-Sham equations. In the second approach, the total electron density of a crystal is represented as a super-position of the densities of individual ions. The problem of determining the electric polarization of a crystal is discussed for each approach. It is shown that it is the use of Bloch functions rather than the physics of the phenomenon that complicates the solution of this problem within the Kohn-Sham framework. The deformable and polarizable ion model is described in detail, and its application to calculating many properties of ionic crystals, including the lattice dynamics and structural stability of crystal phases, is discussed.
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Держатели документа:
Russian Acad Sci, PN Lebedev Phys Inst, Moscow 119991, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
P N Lebedev Physics Institute, Russian Academy of Sciences, Leninskii prosp. 53, 119991 Moscow, Russian Federation
L V Kirenskii Inst. of Phys., Siberian Division, Russian Academy of Sciences, Akademgorodok, 660036 Krasnoyarsk, Russian Federation
Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Zamkova, N. G.; Замкова, Наталья Геннадьевна
}
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8.
Kuzubov, A. A.
Ab initio investigation of a new boron nitride allotrope / A. A. Kuzubov, L. V. Tikhonova, A. S. Fedorov> // Phys. Status Solidi B. - 2014. -
Vol. 251
,
Is. 6
. - P. 1282-1285,
DOI
10.1002/pssb.201350389. - Cited References: 31. - We acknowledge support of the Russian Foundation for Basic Research through Grant No. 12-02-00640. Also, we thank the Institute of Computer Modeling (Siberian Division, Russian Academy of Sciences, Krasnoyarsk), the Joint Supercomputer Center of the Russian Academy of Sciences (Moscow), the computer cluster "Chebyshev" of the Moscow State University (Moscow), and the supercomputer of the Institute of Space and Information Technologies of the Siberian Federal University for providing an opportunity to use their computers for performing all calculations. . - ISSN 0370-1972. - ISSN 1521-3951
Рубрики:
AUGMENTED-WAVE METHOD
MOLECULAR-DYNAMICS
TRANSITION
METALS
Кл.слова (ненормированные):
boron nitride
--
computational materials science
--
density functional
theory
--
elastic properties
--
superhard materials
Аннотация:
A new allotropic superhard and superdense structure of sp3-bonded boron nitride (hP3-BN) is proposed. Geometric electronic, elastic, and optical properties of the structure are investigated by density functional
theory
generalized gradient approximation (DFT-GGA) calculations. It is shown that the structure is an insulator with a band gap of 5.06 eV; is density is 5.03% higher than that of cubic boron nitride (c-BN) and its bulk modulus is 2.25% higher than that of c BN. The calculated hP3-BN refractive index in the range 200-800 nm is significantly higher than the indexes of diamond and all known carbon allotropes, expect for the analogous carbon h-P3 structure, and it has a large optical dispersion. In the range above 800 nm the refractive index changes from 2.60 to 2.35. (C) WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
Доп.точки доступа:
Tikhonova, L. V.; Fedorov, A. S.; Федоров, Александр Семенович; Кузубов, Александр Александрович; Russian Foundation for Basic Research [12-02-00640]
}
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9.
Nemtsev, A. V.
Ab initio study of the polarization, electronic, magnetic, and optical properties of perovskite SrMO3 (M = Fe, Mn) crystals and thin films containing magnetic ions / A. V. Nemtsev, V. S. Zhandun, V. I. Zinenko> // J. Exp. Theor. Phys. - 2018. -
Vol. 126
,
Is. 4
. - P. 497-505,
DOI
10.1134/S1063776118030056. - Cited References: 30 . - ISSN 1063-7761
Кл.слова (ненормированные):
Antiferromagnetism
--
Density functional
theory
--
Electronic properties
--
Iron compounds
--
Manganese compounds
--
Optical properties
--
Perovskite
--
Perovskite solar cells
--
Polarization
--
Strontium compounds
Аннотация:
The magnetic, electronic, and polarization properties of the SrFeO3 and SrMnO3 compounds with a perovskite structure are calculated using the density functional
theory
in the bulk and thin-film states. A ferroelectric instability is found to be absent in the bulk state, and the polar mode is softened in the thin-film state of SrMnO3 in the presence of tensile stresses in the substrate. As a result, a polar phase with a polarization of 23 μC/cm2 appears, which agrees with experimental data. The study of the magnetic and electronic properties demonstrates the existence of G-type antiferromagnetic ordering in SrMnO3 and the appearance of a dielectric gap of about 1.5 eV in its thin film. A ferromagnetic phase with metallic conduction in both the bulk and thin-film states is detected in SrFeO3.
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Публикация на русском языке
Немцев, Андрей В. Исследования ab initio электронных, магнитных и оптических свойств кристаллов и тонких пленок перовскитов SrMeOs (Me = Fe, Mn), содержащих магнитные ионы [Текст] / А. В. Немцев, В. С. Жандун, В. И. Зиненко // Журн. эксперим. и теор. физ. - 2018. - Т. 153 Вып. 4. - С. 605-614
Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Доп.точки доступа:
Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Немцев, Андрей В.
}
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10.
Bulgakov, E. N.
All-optical light storage in bound states in the continuum and release by demand / E. N. Bulgakov, K. N. Pichugin, A. F. Sadreev> // Opt. Express. - 2015. -
Vol. 23
,
Is. 17
. - P. 22520-22531,
DOI
10.1364/OE.23.022520. - Cited References: 45. - This work was supported by Russian Scientific Foundation through Grant 14-12-00266. We acknowledge discussions with D.N. Maksimov . - ISSN 1094-4087
Перевод заглавия:
Сохранение света в связанном состоянии в континууме и освобождение по требованию
РУБ
Optics
Рубрики:
TRAPPED RAINBOW STORAGE
COUPLED-MODE
THEORY
CRYSTAL WAVE-GUIDE
SLOW LIGHT
FANO RESONANCE
METAMATERIALS
MICROCAVITY
CAVITIES
Аннотация:
In the framework of the temporal coupled mode
theory
we consider bound states embedded in the continuum (BSC) of photonic crystal waveguide as a capacity for light storage. A symmetry protected BSC occurs in two off-channel microresonators positioned symmetrically relative to the waveguide. We demonstrate that the symmetry protected BSC captures a fraction of a light pulse due to the Kerr effect as the pulse passes by the microresonators. However the amount of captured light is found to be strongly sensitive to the parameters of the gaussian light pulse such as basic frequency, duration and intensity. In contrast to the above case the BSC resulted from a full destructive interference of two eigenmodes of a single microresonator accumulates a fixed amount of light dependent on the material parameters of the microresonator but independent of the light pulse. The BSCs in the Fabry-Perot resonator show similar effects. We also show that the accumulated light can be released by a secondary pulse. These phenomena pave a way for all-optical storage and release of light. (C) 2015 Optical Society of America
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Доп.точки доступа:
Pichugin, K. N.; Пичугин, Константин Николаевич; Sadreev, A. F.; Садреев, Алмаз Фаттахович; Булгаков, Евгений Николаевич; Russian Scientific Foundation [14-12-00266]
}
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11.
Analytic gradient for
the adaptive frozen orbital bond detachment in the fragment molecular orbital method / D. G. Fedorov [et al.]> // Chem. Phys. Lett. - 2009. -
Vol. 477
,
Is. 1-3
. - P. 169-175,
DOI
10.1016/j.cplett.2009.06.072. - Cited Reference Count: 49. - Гранты: We thank Professor M. Suenaga of Kyushu University for continuing his development of the modeling software FACIO and its FMO interface. D. G. F. and K. K. were supported by the a Grant-in- Aid for Scientific Research (JSPS, Japan) and the Next Generation SuperComputing Project, Nanoscience Program (MEXT, Japan). J.H.J. was supported by a Skou Fellowship from the Danish Research Agency (Forskningsradet for Natur og Univers). - Финансирующая организация: JSPS, Japan; Next Generation SuperComputing Project; MEXT, Japan; Danish Research Agency . - JUL 28. - ISSN 0009-2614
Рубрики:
DENSITY-FUNCTIONAL
THEORY
GEOMETRY OPTIMIZATIONS
SEMICONDUCTOR NANOWIRES
SILICON NANOWIRES
METHOD FMO
ENERGY
SURFACES
RECONSTRUCTION
CHEMISTRY
PROTEINS
Кл.слова (ненормированные):
Energy gradients
--
Fragment molecular orbital methods
--
Future applications
--
Geometry optimization
--
Numerical criteria
--
Silicon Nanowires
--
Molecular modeling
--
Molecular orbitals
Аннотация:
We have developed and implemented the analytic energy gradient for the bond detachment scheme in the fragment molecular orbital method (FMO) suitable to describe solids, and applied it to the geometry optimization of a silicon nanowire at several levels of
theory
. In addition, we have examined in detail the effects of the particular choice of the fragmentation upon the accuracy and introduced a number of numerical criteria to characterize the errors. The established route is expected to provide guidance for future applications of FMO to surfaces, solids and nanosystems. (C) 2009 Elsevier B. V. All rights reserved.
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Держатели документа:
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark
Kyoto Univ, Grad Sch Pharmaceut Sci, Sakyo Ku, Kyoto 6068501, Japan
Доп.точки доступа:
Fedorov, D.G.; Kitaura, K.; Avramov, P. V.; Аврамов, Павел Вениаминович; Jensen, J.H.
}
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12.
Val'kov, V. V.
Anomalies in the characteristics of electronic structure upon a quantum phase transition to a state with two order parameters and the breaking of time-reversal symmetry / V. V. Val’kov, A. O. Zlotnikov> // Bull. Russ. Acad. Sci. Phys. - 2016. -
Vol. 80
,
Is. 6
. - P. 616-619,
DOI
10.3103/S106287381606040X. - Cited References: 9 . - ISSN 1062-8738
Кл.слова (ненормированные):
Antiferromagnetism
--
Electronic structure
--
Phase transitions
--
Temperature distribution
--
Antiferromagnetic order parameter
--
Density of state
--
Landau expansion
--
Periodic Anderson model
--
Quantum phase transitions
--
Temperature dependence
--
Time reversal symmetries
--
Two order parameters
--
Quantum
theory
Аннотация:
Based on the periodic Anderson model, microscopic expressions for the Ginzburg–Landau expansion coefficients in a phase with superconducting and antiferromagnetic order parameters are obtained. Temperature dependences of the order parameters near the temperature of the transition to this phase are established. The emergence of anomalous properties upon the quantum phase transition to the phase with two order parameters is investigated. This transition is accompanied by drastic reconstruction of the density of states, reflected by the interplay between superconductivity and antiferromagnetism. © 2016, Allerton Press, Inc.
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Публикация на русском языке
Вальков, Валерий Владимирович. Аномалии характеристик электронной структуры при квантовом фазовом переходе в состояние с двумя параметрами порядка и нарушенной симметрией относительно инверсии времени [Текст] / В. В. Вальков, А. О. Злотников // Изв. РАН. Сер. физ. - 2016. - Т. 80 № 6. - С. 683-686
Доп.точки доступа:
Zlotnikov, A. O.; Злотников, Антон Олегович; Вальков, Валерий Владимирович
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13.
Anomalous spectral properties
of strongly correlated systems within the cluster perturbation
theory
/ V. I. Kuz'min, S. V. Nikolaev, S. G. Ovchinnikov> //
Euro-asian symposium "Trends in magnetism" (EASTMAG-2019) : Book of abstracts / чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.] ; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. -
Vol. 2
. - Ст. I.P9. - P. 151-152. - Cited References: 4. - The reported study was funded by Russian Foundation for Basic Research (RFBR) according to the research project no. 18-32-00256, RFBR and Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project: “18-42-240017 Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations” and the research project: “18-42-243004 New thermoelectric materials based on multi-scale spatially inhomogeneous substituted rare-earth cobalt oxides and the Ruddlesden-Popper phases” . - ISBN 978-5-9500855-7-4
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Siberian Federal University
Доп.точки доступа:
Ovchinnikov, S. G. \чл. конс. ком.\; Овчинников, Сергей Геннадьевич; Volkov, N. V. \чл. конс. ком.\; Волков, Никита Валентинович; Dzebisashvili, D. M. \чл. прогр. ком.\; Дзебисашвили, Дмитрий Михайлович; Kuz'min, V. I.; Кузьмин, Валерий Ипполитович; Nikolaev, S. V.; Николаев, Сергей Викторович; Ovchinnikov, S. G.; Российская академия наук; Уральское отделение РАН; Институт физики металлов им. М. Н. Михеева Уральского отделения РАН; Уральский федеральный университет им. первого Президента России Б.Н. Ельцина; Российский фонд фундаментальных исследований; Euro-Asian Symposium "Trends in MAGnetism"(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg); "Trends in MAGnetism", Euro-Asian Symposium(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg)
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14.
Anomalous spectral properties
of strongly correlated systems within the cluster perturbation
theory
/ V. I. Kuz'min, S. V. Nikolaev, S. G. Ovchinnikov> //
Euro-asian symposium "Trends in magnetism" (EASTMAG-2019) : Book of abstracts / чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.] ; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. -
Vol. 2
. - Ст. I.P9. - P. 151-152. - Cited References: 4. - The reported study was funded by Russian Foundation for Basic Research (RFBR) according to the research project no. 18-32-00256, RFBR and Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project: “18-42-240017 Features of electron-phonon coupling in high-temperature superconductors with strong electron correlations” and the research project: “18-42-243004 New thermoelectric materials based on multi-scale spatially inhomogeneous substituted rare-earth cobalt oxides and the Ruddlesden-Popper phases” . - ISBN 978-5-9500855-7-4
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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
Siberian Federal University
Доп.точки доступа:
Ovchinnikov, S. G. \чл. конс. ком.\; Овчинников, Сергей Геннадьевич; Volkov, N. V. \чл. конс. ком.\; Волков, Никита Валентинович; Dzebisashvili, D. M. \чл. прогр. ком.\; Дзебисашвили, Дмитрий Михайлович; Kuz'min, V. I.; Кузьмин, Валерий Ипполитович; Nikolaev, S. V.; Николаев, Сергей Викторович; Ovchinnikov, S. G.; Российская академия наук; Уральское отделение РАН; Институт физики металлов им. М. Н. Михеева Уральского отделения РАН; Уральский федеральный университет им. первого Президента России Б.Н. Ельцина; Российский фонд фундаментальных исследований; Euro-Asian Symposium "Trends in MAGnetism"(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg); "Trends in MAGnetism", Euro-Asian Symposium(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg)
Нет сведений об экземплярах (Источник в БД не найден)
}
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15.
SANDALOV, I. S.
ANTI-FERROMAGNETIC TRANSITION
THEORY
IN URANIUM MONOPNICTIDES / I. S. SANDALOV, E. Y. YUSHKOVA> // Fiz. Tverd. Tela. - 1983. -
Vol. 25
,
Is. 11
. - P. 3437-3439. - Cited References: 4 . - ISSN 0367-3294
РУБ
Physics, Condensed Matter
WOS
Доп.точки доступа:
YUSHKOVA, E. Y.
}
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16.
Applicability of the
theory
based on Andreev reflection to the description of experimental current-voltage characteristics of polycrystalline HTSC plus normal metal composites / M. I. Petrov [et al.]> // Physica C. - 1999. -
Vol. 314
,
Is. 1-2
. - P. 51-54,
DOI
10.1016/S0921-4534(99)00151-3. - Cited References: 19 . - ISSN 0921-4534
РУБ
Physics, Applied
Рубрики:
WEAK LINKS
JUNCTIONS
FILMS
Кл.слова (ненормированные):
YBaCuO + BaPbO3 composites
--
network of weak S-N-S links
--
current-voltage characteristic
Аннотация:
Measurements of current-voltage characteristics (CVC) of Y3/4Lu1/4Ba2,Cu3O7 + BaPbO3 and Y3/4Lu1/4Ba2Cu3O7 +BaPb0.9Sn0.1O3 composites modelling network of superconducting-normal metal-superconducting (S-N-S) junctions in effectively 'clean' and 'dirty' limits, respectively, have been performed. Essential difference of CVCs for these composites is observed in spite of the identical preparation technique and experimental conditions. It is shown that the
theory
for S-N-S junctions [R. Kummel, U. Gunsenheimer, R. Nicolsky, Phys. Rev. B, 42 (1990) 3932] well describes the experimental CVCs of the composites in both cases. (C) 1999 Published by Elsevier Science B.V. All rights reserved.
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Держатели документа:
LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Доп.точки доступа:
Petrov, M. I.; Петров, Михаил Иванович; Balaev, D. A.; Балаев, Дмитрий Александрович; Gokhfeld, D. M.; Гохфельд, Денис Михайлович; Ospishchev, S. V.; Оспищев С. В.; Shaikhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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17.
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.
}
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18.
Rotter, I.
Avoided level crossings, diabolic points, and branch points in the complex plane in an open double quantum dot / I. . Rotter, A. F. Sadreev> // Phys. Rev. E. - 2005. -
Vol. 71
,
Is. 3
. - Ст. 36227,
DOI
10.1103/PhysRevE.71.036227. - Cited References: 49 . - ISSN 1063-651X
РУБ
Physics, Fluids & Plasmas + Physics, Mathematical
Рубрики:
BERRY TOPOLOGICAL PHASE
EXCEPTIONAL POINTS
GEOMETRIC PHASES
NUCLEAR REACTIONS
RESONANCE STATES
UNIFIED
THEORY
S-MATRIX
CONTINUUM
REPULSION
INTERFEROMETER
Кл.слова (ненормированные):
Branch points in the complex plane (BPCP)
--
Diabolic points (DP)
--
Geometric phases
--
Riemann sheets
--
Eigenvalues and eigenfunctions
--
Electron energy levels
--
Functions
--
Hamiltonians
--
Quantum
theory
--
Resonance
--
Topology
--
Semiconductor quantum dots
Аннотация:
We study the spectrum of an open double quantum dot as a function of different system parameters in order to receive information on the geometric phases of branch points in the complex plane (BPCP). We relate them to the geometrical phases of the diabolic points (DPs) of the corresponding closed system. The double dot consists of two single dots and a wire connecting them. The two dots and the wire are represented by only a single state each. The spectroscopic values follow from the eigenvalues and eigenfunctions of the Hamiltonian describing the double dot system. They are real when the system is closed, and complex when the system is opened by attaching leads to it. The discrete states as well as the narrow resonance states avoid crossing. The DPs are points within the avoided level crossing scenario of discrete states. At the BPCP, width bifurcation occurs. Here, different Riemann sheets evolve and the levels do not cross anymore. The BPCP are physically meaningful. The DPs are unfolded into two BPCP with different chirality when the system is opened. The geometric phase that arises by encircling the DP in the real plane, is different from the phase that appears by encircling the BPCP. This is found to be true even for a weakly opened system and the two BPCP into which the DP is unfolded.
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Держатели документа:
Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Linkoping Univ, Dept Phys & Measurement Technol, S-58183 Linkoping, Sweden
Astafev Krasnoyarsk Pedag Univ, Krasnoyarsk 660049, Russia
ИФ СО РАН
Max-Planck-Inst. Physik Komplexer S., D-01187 Dresden, Germany
Kirensky Institute of Physics, 660036, Krasnoyarsk, Russian Federation
Dept. of Physics and Measurement, Technology Linkoping University, S-581 83 Linkoping, Sweden
Astafev Krasnoyarsk Pedagogical U., 660049 Krasnoyarsk, Russian Federation
Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович
}
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19.
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.
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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.
}
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20.
BCS-type
Theory
for
the Sum of Magnetic and Phonon Coupling in high-Tc Cuprates / E. Shneyder, S. Ovchinnikov> //
18th International Conference on Magnetism (ICM-2009). - 2009. - Ст. Mo-A-5.1-03
Доп.точки доступа:
Shneyder, E.; Ovchinnikov, S.; International Conference on Magnetism(18 ; 2009 ; July 26-31 ; Karlsruhe, Germany)
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