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Ovchinnikov, S. G.
Symmetry of holes in high-temperature superconductors / S. G. Ovchinnikov // Solid State Commun. - 1991. - Vol. 77, Is. 3. - P. 221-224, DOI 10.1016/0038-1098(91)90336-T. - Cited References: 19 . - ISSN 0038-1098

РУБ Physics, Condensed Matter
Рубрики:
FERMI-LIQUID STATES
   X-RAY ABSORPTION
   ELECTRONIC-STRUCTURE
   PHOTOEMISSION
   BI2SR2CACU2O8
   BISMUTH
Аннотация: A symmetry of holes is investigated in the multielectron band theory which takes into account strong correlations. It is shown that a small number of d(z2) states appears near the Fermi level due to d(z2) Cu-2p(x(y))O charge transfer as admixture to d(x2-y2)-p(x(y)) bands with dominant contribution of O2p states. The results are in a qualitative agreement with polarized photoemission data.

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Держатели документа:
L.V. Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation
ИФ СО РАН

Доп.точки доступа:
Овчинников, Сергей Геннадьевич
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Ovchinnikov, S. G.
Сomparison between the band structures of La2CuO4 and Nd2CuO4 / S. G. Ovchinnikov // Zhurnal Eksperimentalnoi Teor. Fiz. - 1992. - Vol. 102, Is. 1. - P. 127-131. - Cited References: 6 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
ELECTRONIC-STRUCTURE
Аннотация: The band structure of quasiparticles in undoped La2CuO4 and Nd2CuO4 dielectric compounds is calculated involving the strong electron correlations in the generalized tight-binding method. In both compounds the dielectric gap is determined mainly by the charge-transfer processes. The reduction of the gap during the La-to-Nd transition is described by decreasing the parameter delta=epsilon(p)-epsilon(d) under the fixed other parameters of the theory, epsilon(p) and epsilon(d) being the energies of the single-particle states of p- and d-holes.

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Доп.точки доступа:
Овчинников, Сергей Геннадьевич
}
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OVCHINNIKOV, S. G.
EFFECT OF SUBSTITUTIONAL IMPURITY SPECIES ON THE SUPPRESSION OF MAGNETIC-PROPERTIES OF WEAKLY DOPED COPPER OXIDES / S. G. OVCHINNIKOV // Fiz. Tverd. Tela. - 1994. - Vol. 36, Is. 5. - P. 1307-1310. - Cited References: 16 . - ISSN 0367-3294

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   SUPERCONDUCTIVITY
   LA2CUO4
   EXCITATIONS
   SPECTRA

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Ovchinnikov, S. G.
Modification of magnetic and superconducting properties of layered cuprates due to copper substitution for zinc and nickel / S. G. Ovchinnikov // Fiz. Tverd. Tela. - 1995. - Vol. 37, Is. 12. - P. 3645-3654. - Cited References: 28 . - ISSN 0367-3294

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
   LA2CUO4
   LA2-XSRXCUO4
   EXCITATIONS
   DENSITY
   PLANE
   NI

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Ovchinnikov, S. G.
EFFECT OF ANTIFERROMAGNETIC ORDERING ON ZONE STRUCTURE OF LA2CUO4 / C. G. OVCHINNIKOV // Zhurnal Eksperimentalnoi Teor. Fiz. - 1995. - Vol. 107, Is. 3. - P. 796-811. - Cited References: 42 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary
Рубрики:
HIGH-TC SUPERCONDUCTORS
   ELECTRONIC-STRUCTURE
   OXIDE SUPERCONDUCTORS
   CHARGE-TRANSFER
   CUO2 PLANE
   MODEL
   HOLE
   SPECTRUM
   STATE

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Доп.точки доступа:
Овчинников, Сергей Геннадьевич
}
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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].

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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.
}
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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".

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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.
}
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Varganov, S. A.
Ab initio calculations of endo- and exohedral C-60 fullerene complexes with Li+ ion and the endohedral C-60 fullerene complex with Li-2 dimer / S. A. Varganov, P. V. Avramov, S. G. Ovchinnikov // Phys. Solid State. - 2000. - Vol. 42, Is. 2. - P. 388-392, DOI 10.1134/1.1131218. - Cited References: 16 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
ENERGIES
C60
Аннотация: The results of ab initio Hartree-Fock calculations of endo- and exohedral C-60 fullerene complexes with the Li+ ion and Li-2 dimer are presented. The coordination of the Li+ ion and the Li-2 dimer in the endohedral complexes and the coordination of Li+ ion in the exohedral complex of C-60 fullerene are determined by the geometry optimization using the 3-21G basis set. In the endohedral Li+C60 complex, the Li+ ion is displaced from the center of the C-60 cage to the centers of carbon hexa- and pentagons by 0.12 nm. In the Li-2 dimer encapsulated inside the C-60 cage, the distance between the lithium atoms is 0.02 nm longer than that in the free molecule. The calculated total and partial one-electron densities of states of C-60 fullerene are in good agreement with the experimental photoelectron and X-ray emission spectra. Analysis of one-electron density of states of the endohedral Li+@C-60 complex indicates an ionic bonding between the Li atoms and the C-60 fullerene. In the Li+C60 and Li+@C-60 complexes, there is a strong electrostatic interaction between the Li+ ion and the fullerene. (C) 2000 MAIK "Nauka/Interperiodica".

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Держатели документа:
Russian Acad Sci, Kirenskii Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Siberian Aerosp Acad, Krasnoyarsk 660014, Russia
ИФ СО РАН

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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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".

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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
}
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10.

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".

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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
}
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11.

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

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

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

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Borisov, A. A.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Korshunov, M. M.; Коршунов, Максим Михайлович
}
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12.

Strong spin triplet contribution of the first removal state in the insulating regime of Bi2Sr2Ca1-xYxCu2O8+delta / C. . Janowitz [et al.] // JETP Letters. - 2004. - Vol. 80, Is. 11. - P. 692-696, DOI 10.1134/1.1862796. - Cited References: 18 . - ISSN 0021-3640

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

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

Доп.точки доступа:
Janowitz, C.; Seidel, U.; Unger, RST; Krapf, A.; Manzke, R.; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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13.

Optical transitions in GdFe3(BO3)(4) and FeBO3 under high pressures / A. G. Gavriliuk [et al.] // J. Phys.: Condens. Matter. - 2005. - Vol. 17: 2nd International Symposium on Physics of Solids Under High Presure Using Nuclear Probes (JUL 22-25, 2004, Cologne, GERMANY), Is. 48. - P. 7599-7604, DOI 10.1088/0953-8984/17/48/011. - Cited References: 8 . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
ELECTRONIC-STRUCTURE
Кл.слова (ненормированные):
Band structure -- Coulomb blockade -- High pressure effects -- Iron compounds -- Magnetic moments -- Mathematical models -- Optical properties -- Relaxation processes -- Coulomb correlations -- Electron correlations -- Insulator-semiconductor transitions -- Optical transitions -- Gadolinium compounds
Аннотация: The optical properties of GdFe3(BO3)(4) under high pressures have been investigated experimentally and theoretically, and the results are compared with the properties of FeBO3. A model of the GdFe3(BO3)(4) band structure is derived within the multielectron model taking into account the strong electron correlations. Crossover of the Fe3+ ion high-spin and low-spin states, collapse of the magnetic moment, the relaxation Coulomb correlations, and insulator-semiconductor transition are predicted. Optical transitions in GdFe3(BO3)(4) and FeBO3 under high pressures were discovered.

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Держатели документа:
RAS, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
RAS, Inst Crystallog, Moscow 119333, Russia
RAS, Inst High Pressure Phys, Troitsk 142190, Russia
ИФ СО РАН
Institute of Crystallography, RAS, 119333, Moscow, Russian Federation
Institute for High Pressure Physics, RAS, 142190, Troitsk, Russian Federation
L V Kirensky Institute of Physics, Siberian Branch, RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Gavriliuk, A. G.; Kharlamova, S. A.; Lyubutin, I. S.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Potseluyko, A. M.; Trojan, I. A.; Zabluda, V. N.; Заблуда, Владимир Николаевич
}
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14.

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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15.

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.

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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
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16.

    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.

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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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17.

Ovchinnikov, S. G.
Effect of spin crossovers on the Mott-Hubbard transition at high pressures / S. G. Ovchinnikov // J. Exp. Theor. Phys. - 2008. - Vol. 107, Is. 1. - P. 140-146, DOI 10.1134/S1063776108070145. - Cited References: 19. - The author is grateful to D. Homsky, G. Sawatzky, and M. Haverkort for fruitful discussions of results. This study was supported by the Russdian Foundation for Basic Research ( project no. 07-02-00226) and the Presidium of the Russian Academy of Sciences ( Program "Quantum Macrophysics"). This study was initiated during the author's work at the Kavli Institute for Theoretical Physics (University of California, Santa Barbara, USA) and supported by the NSF ( grant no. PHY05-51164). . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
NARROW ENERGY BANDS
   ELECTRONIC-STRUCTURE
   MAGNETIC COLLAPSE
   METAL COMPOUNDS
   FEBO3
   SPECTRA
   GAPS
Кл.слова (ненормированные):
High pressures -- Mott Hubbard transitions -- Spin crossovers -- Spin dynamics
Аннотация: The effect of spin crossovers in d (n) terms on the effective Hubbardparameter (U(eff)) determining the gap between the lower and upper Hubbard bands is analyzed using a many-electron approach to describe the electron structure of Mott insulators. A new mechanism of the insulator-metal transition is established for d(5) ions, which is related to a decrease in U(eff) caused by spin crossover. For other ions, the U (eff) value is either independent of pressure (d(2), d(4), d(7)) or it exhibits nonmonotonic growth (d(3), d(6), d(8)).

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Публикация на русском языке Овчинников, Сергей Геннадьевич. Влияние спиновых кроссоверов на переход Мотта-Хаббарда при высоких давлениях [Текст] / С. Г. Овчинников // Журн. эксперим. и теор. физ. - 2008. - Т. 134 Вып. 1. - С. 172-178

Держатели документа:
[Ovchinnikov, S. G.] Russian Acad Sci, Siberian Branch, Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Овчинников, Сергей Геннадьевич
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18.

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.

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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.
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19.

Specific features of spin, charge, and orbital ordering in cobaltites / N. B. Ivanova [et al.] // Phys. Usp. - 2009. - Vol. 52, Is. 8. - P. 789-810, DOI 10.3367/UFNe.0179.200908b.0837. - Cited References: 278. - This work was financially supported by the RFBR (projects 09-02-00171-a, 07-02-00226, and 09-02-00127), the Federal Agency of Science and Innovation (grant MK-4278.2008.2), and the Presidium of the Russian Academy of Sciences Program No. 5, Quantum Physics of Condensed Media (project No. 7). I.M.E.'s work was supported by the program for Leading Science Schools of the Ministry of Education and Science of the Russian Federation (grant 2.1.1/3199). . - ISSN 1063-7869

РУБ Physics, Multidisciplinary
Рубрики:
PEROVSKITE-TYPE OXIDES
   METAL-INSULATOR-TRANSITION
   HIGH-TEMPERATURE SUPERCONDUCTIVITY
   ONE-DIMENSIONAL CA3CO2O6
   ELECTRONIC-STRUCTURE
   MAGNETIC-PROPERTIES
   TRANSPORT-PROPERTIES
   STATE TRANSITION
   FUEL-CELLS
   CRYSTAL-STRUCTURE
Кл.слова (ненормированные):
Cobalt oxides -- Lanthanides -- Orbital degrees of freedom -- Orbital ordering -- Quasi-one-dimensional -- Spin state -- Superconducting compounds -- Theoretical result -- Calcium -- Cobalt -- Lanthanum -- Oxide minerals -- Perovskite -- Spin dynamics -- Superconductivity -- Cobalt compounds
Аннотация: Complex cobalt oxides known as cobaltites are reviewed, including LnCoO(3)-based perovskite-structured rare-earth cobaltites (where Ln is lanthanum or a lanthanide), quasi-two-dimensional and quasi-one-dimensional cobaltites of the types LnCo(2)O(5+delta), La2CoO4, and Ca3Co2O8, and NaxCoO2 center dot yH(2)O superconducting compounds. Key experimental and theoretical results are presented, with emphasis on the interplay between charge, spin, and orbital degrees of freedom. Two problems of specific relevance to cobaltites - the spin state instability of Co3+ ions in LnCoO(3), and the nature of superconductivity in NaxCoO2 center dot yH(2)O - are also given significant attention.

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Держатели документа:
[Ivanova, N. B.
Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660074, Russia
[Ovchinnikov, S. G.
Korshunov, M. M.
Kazak, N. V.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Korshunov, M. M.
Eremin, I. M.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
[Eremin, I. M.] Kazan VI Lenin State Univ, Kazan 420008, Russia
ИФ СО РАН
Siberian Federal University, ul. Kirenskogo 26, 660074 Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50-38, 660036 Krasnoyarsk, Russian Federation
Max-Planck-Institut FuE R Physik Komplexer Systeme, NoE thnitzer Straue 38, D-01187 Dresden, Germany
Kazan State University, ul. Kremlevskaya 18, 420008 Kazan, Russian Federation

Доп.точки доступа:
Ivanova, N. B.; Иванова, Наталья Борисовна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Korshunov, M. M.; Коршунов, Максим Михайлович; Eremin, I. M.; Kazak, N. V.; Казак, Наталья Валерьевна; RFBR [09-02-00171-a, 07-02-00226, 09-02-00127]; Federal Agency of Science and Innovation [MK-4278.2008.2]; Presidium of the Russian Academy of Sciences [5, 7]; Leading Science Schools of the Ministry of Education and Science of the Russian Federation [2.1.1/3199]
}
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20.

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.

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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
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