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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ivanova N. B., Ovchinnikov S. G., Korshunov M. M., Eremin I. M., Kazak N. V.
Заглавие : Specific features of spin, charge, and orbital ordering in cobaltites
Коллективы : 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]
Место публикации : Phys. Usp.: Turpion Ltd, 2009. - Vol. 52, Is. 8. - P.789-810. - ISSN 1063-7869, DOI 10.3367/UFNe.0179.200908b.0837
Примечания : 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).
Предметные 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
Ключевые слова (''Своб.индексиров.''): 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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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G.
Заглавие : Symmetry of holes in high-temperature superconductors
Место публикации : Solid State Commun. - 1991. - Vol. 77, Is. 3. - P.221-224. - ISSN 0038-1098, DOI 10.1016/0038-1098(91)90336-T
Примечания : Cited References: 19
Предметные 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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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G.
Заглавие : EFFECT OF ANTIFERROMAGNETIC ORDERING ON ZONE STRUCTURE OF LA2CUO4
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz.: MEZHDUNARODNAYA KNIGA, 1995. - Vol. 107, Is. 3. - P796-811. - ISSN 0044-4510
Примечания : Cited References: 42
Предметные рубрики: HIGH-TC SUPERCONDUCTORS
ELECTRONIC-STRUCTURE
OXIDE SUPERCONDUCTORS
CHARGE-TRANSFER
CUO2 PLANE
MODEL
HOLE
SPECTRUM
STATE
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G.
Заглавие : Modification of magnetic and superconducting properties of layered cuprates due to copper substitution for zinc and nickel
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1995. - Vol. 37, Is. 12. - P3645-3654. - ISSN 0367-3294
Примечания : Cited References: 28
Предметные рубрики: ELECTRONIC-STRUCTURE
LA2CUO4
LA2-XSRXCUO4
EXCITATIONS
DENSITY
PLANE
NI
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Sorokin P. B., Fedorov A. S., Fedorov D. G., Maeda Y.
Заглавие : Band-gap unification of partially Si-substituted single-wall carbon nanotubes
Место публикации : Phys. Rev. B: AMER PHYSICAL SOC, 2006. - Vol. 74, Is. 24. - Ст.245417. - ISSN 1098-0121, DOI 10.1103/PhysRevB.74.245417
Примечания : Cited References: 72
Предметные 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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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Ovchinnikov S. G., Borisov A. A., Goryachev E. G.
Заглавие : Evolution of the band structure of quasiparticles with doping in copper oxides on the basis of a generalized tight-binding method
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2000. - Vol. 91, Is. 2. - P369-383. - ISSN 1063-7761, DOI 10.1134/1.1311997
Примечания : Cited References: 45
Предметные 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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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Borisov A. A., Ovchinnikov S. G.
Заглавие : Polarized ARPES spectra of undoped cuprates
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2001. - Vol. 43, Is. 10. - P1876-1884. - ISSN 1063-7834, DOI 10.1134/1.1410625
Примечания : Cited References: 15
Предметные 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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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Burkova L. V., Seredkin V. A., Yakovchuk V. Y.
Заглавие : An analysis of the mechanism of Kerr effect enhancement in Mn/Dy/Bi
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1999. - Vol. 41, Is. 1. - P80-86. - ISSN 1063-7834, DOI 10.1134/1.1130733
Примечания : Cited References: 35
Предметные 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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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Varganov S. A., Avramov P. V., Ovchinnikov S. G.
Заглавие : 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
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 2. - P388-392. - ISSN 1063-7834, DOI 10.1134/1.1131218
Примечания : Cited References: 16
Предметные 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : OVCHINNIKOV S. G.
Заглавие : EFFECT OF SUBSTITUTIONAL IMPURITY SPECIES ON THE SUPPRESSION OF MAGNETIC-PROPERTIES OF WEAKLY DOPED COPPER OXIDES
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1994. - Vol. 36, Is. 5. - P1307-1310. - ISSN 0367-3294
Примечания : Cited References: 16
Предметные рубрики: ELECTRONIC-STRUCTURE
SUPERCONDUCTIVITY
LA2CUO4
EXCITATIONS
SPECTRA
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