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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Amitin L. N., Anistratov A. T., Kuznetsov A. I.
Заглавие : Comparison of the electronic-structure of CSPbCl3, PBCL2, and CSCaCl3 on the basis of optical spectroscopy data
Место публикации : Phys. Status Solidi B. - 1980. - Vol. 101, Is. 1. - PK65-K73. - ISSN 0370-1972, DOI 10.1002/pssb.2221010160
Примечания : Cited References: 10
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Goryachev E. G., Kuzmin E. V., Ovchinnikov S. G.
Заглавие : The electronic-spectrum and the metal-insulator-transition in the hubbard-model
Место публикации : Phys. Lett. A. - 1981. - Vol. 85, Is. 4. - P.236-238. - ISSN 0375-9601, DOI 10.1016/0375-9601(81)90025-6
Примечания : Cited References: 4
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : VASILYEV G. G., EDELMAN I. S., PETROV V. E., Berzhanskii V. N.
Заглавие : Temperature-dependence of the meridional Kerr effect and electronic-transitions in Y3Fe5O12
Место публикации : Fiz. Tverd. Tela. - 1990. - Vol. 32, Is. 1. - P.269-271. - ISSN 0367-3294
Примечания : Cited References: 5
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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G.
Заглавие : Сomparison between the band structures of La2CuO4 and Nd2CuO4
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz.: MEZHDUNARODNAYA KNIGA, 1992. - Vol. 102, Is. 1. - P.127-131. - ISSN 0044-4510
Примечания : Cited References: 6
Предметные 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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Churilov G. N.
Заглавие : Two new discharges for production of fullerenes and nanotubes
Коллективы : International Winterschool on Electronic Properties of Novel Materials
Место публикации : Progress in fullerene research/ ed. H. Kuzmany [et al.]. - Singapore ; New Jersey ; London: World Scientific, 1994. - P.135-138. - ISBN 978-9810218874 (Шифр -292987024). - ISBN 981-02-1887-7
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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : OVCHINNIKOV S.G.
Заглавие : THE INFLUENCE OF THE ANTIFERROMAGNETISM ON THE ELECTRONIC-STRUCTURE OF LA2CUO4
Разночтения заглавия :авие SCOPUS: The influence of the antiferromagnetism on the electronic structure of La2CuO4
Место публикации : J. Supercond.: PLENUM PUBL CORP, 1995. - Vol. 8: University-of-Miami Workshop on High-Temperature Superconductivity - Physical Properties and Mechanisms (JAN 05-11, 1995, CORAL GABLES, FL), Is. 5. - P675-676. - ISSN 0896-1107, DOI 10.1007/BF00727473
Примечания : Cited References: 15
Предметные рубрики: OXIDES
MODEL
Ключевые слова (''Своб.индексиров.''): electron correlations--electron structure--spin fluctuations--electron correlations--electron structure--spin fluctuations--antiferromagnetism--band structure--calculations--correlation theory--electrons--lanthanum compounds--paramagnetism--perturbation techniques--antiferromagnetic phase--electron correlations--intercluster interactions--spin fluctuations--electronic structure
Аннотация: The quasiparticle approach for electronic structure calculations considering strong electron correlations is given. The exact diagonalization of a multiband Hubbard Hamiltonian for a small cluster is combined with perturbation theory for intercluster hopping. The band structure of paramagnetic and antiferromagnetic La2CuO4 are discussed.
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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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10.

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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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : Underestimating the width of the bandgap in the electronic spectra of La2CuO4
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1997. - Vol. 39, Is. 3. - P389-391. - ISSN 1063-7834, DOI 10.1134/1.1129865
Примечания : Cited References: 9
Предметные рубрики: SUPERCONDUCTIVITY
Аннотация: It is shown that the width of the bandgap determined by the simultaneous analysis of the experimental photoelectron and inverse photoemission spectra of the surface of La2CuO4 using a common energy scale is underestimated by 1 eV. The electronic and satellite structures of the spectra of La2CuO4 are calculated on the basis of the multiband p-d model and the sudden perturbation approximation. It is shown that shakedown processes shift the one-electron contour of the final two-hole configuration of the photoelectron spectrum 1 eV down the energy scale and shift the contour of the final d(10) configuration of the inverse photoemission spectrum downward by 2 eV; these shifts cause the energy splitting between the filled and empty bands to be underestimated. (C) 1997 American Institute of Physics.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G.
Заглавие : Quasiparticles in strongly correlated electronic systems in cuprate oxides
Место публикации : Uspekhi Fiz. Nauk: MEZHDUNARODNAYA KNIGA, 1997. - Vol. 167, Is. 10. - P.1043-1068. - ISSN 0042-1294
Примечания : Cited References: 227
Предметные рубрики: T-J-MODEL
HIGH-TEMPERATURE SUPERCONDUCTORS
DIMENSIONAL HUBBARD-MODEL
QUASI-PARTICLE DISPERSION
HEISENBERG-ANTIFERROMAGNET SR2CUO2CL2
ANGLE-RESOLVED PHOTOEMISSION
CHARGE FLUCTUATION REGIME
SADDLE-POINT SINGULARITY
SINGLET-TRIPLET MODEL
LA-SR-CU
Аннотация: New experimental and theoretical results on the electronic structure and spectral properties of quasiparticles in cuprate oxides are reviewed. It is shown that the electronic structure transforms from antiferromagnetic insulators to optimally doped high-temperature superconductors as the doping level is varied. The experimental methods considered are primarily angular resolved photoelectron spectroscopy (ARPES), neutron scattering, and NMR. Two types of electronic structure calculations for data interpretation purposes are considered, namely, exact numerical methods for finite clusters (exact diagonalisation and the quantum Monte Carlo method) and approximate schemes for the infinite lattice. As a result, a coherent unified picture emerges, in which the magnetic polaron of a weakly doped antiferromagnetic lattice transforms into a system of Fermi particles dressed by short-range antiferromagnetic type spin fluctuations. In the region of weakly doped metal compositions, deviations from Fermi-liquid properties are seen, such as the failure of Luttinger's theorem, shadowy photoemission bands, and the spin pseudogap effect in spectral and thermodynamic measurements. The situation in the neighbourhood of the insulator-metal concentration transition is described as least understood.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Loseva G. V., Ovchinnikov S. G., Yakubailik E. K., Kiselev N. I., Gaidalova T. A.
Заглавие : Magnetic phases of FexV1-xS and their electronic structure
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1998. - Vol. 40, Is. 10. - P1715-1717. - ISSN 1063-7834, DOI 10.1134/1.1130641
Примечания : Cited References: 10
Аннотация: A study has been made of the FexV1-xS solid solutions with 0 x 0.5. For the compounds with x. 0.1, x-ray diffraction analysis discloses a V5S8 superstructure. Samples with x 0.1 are magnetically ordered at room temperature. The concentration dependences of resistivity and magnetization exhibit sharp peaks for x = 0.1 and x = 0.2, respectively. The main features of the structure and electronic properties have been qualitatively explained in terms of the three-band exciton-insulator model, and the maxima in resistivity and magnetization are assigned to the formation of localized magnetic moments with S = 1, which become delocalized with increasing x. (C) 1998 American Institute of Physics. [S1063-7834(98)02510-6].
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrakovskii G. A., Ryabinkina L. I., Velikanov D. A., Aplesnin S. S., Abramova G. M., Kiselev N. I., Bovina A. F.
Заглавие : Low-temperature electronic and magnetic transitions in the antiferromagnetic semiconductor Cr0.5Mn0.5S
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1999. - Vol. 41, Is. 9. - P1520-1524. - ISSN 1063-7834, DOI 10.1134/1.1131014
Примечания : Cited References: 13
Предметные рубрики:
Аннотация: Experimental-theoretical studies were carried out of the electrical and magnetic properties of the antiferromagnetic semiconductor Cr0.5Mn0.5S in the temperature range 4.2-300 K. A magnetic antiferromagnetic-ferrimagnetic phase transition was observed along with a semimetal- semiconductor electronic transition. Monte Carlo calculations indicate that the changes in the type of magnetic ordering and conductivity are due to the cooperative Jahn-Teller effect caused by the Cr2+ ions. (C) 1999 American Institute of Physics. [S1063-7834(99)02609-X].
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S.
Заглавие : Employment of curvilinear coordinates in ab initio calculations of insulators using pseudopotentials
Место публикации : Phys. Solid State: AMER INST PHYSICS, 1999. - Vol. 41, Is. 2. - P213-218. - ISSN 1063-7834, DOI 10.1134/1.1131090
Примечания : Cited References: 17
Предметные рубрики: ELECTRONIC-STRUCTURE CALCULATIONS
ALKALINE-EARTH OXIDES
HIGH-PRESSURE
FORMALISM
SOLIDS
Аннотация: The standard ab initio scheme for calculating the structure of crystals using nonlocal pseudopotentials is modified for use in curvilinear coordinates. A method for solving the Poisson equation for the Coulomb potential in a curved space in the k representation is found. It is shown in the example of calculations for crystals of insulators having an NaCl structure that the employment of a curved space permits a very significant decrease in the required size of the basis set. (C) 1999 American Institute of Physics. [S1063-7834(99)01102-8].
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16.

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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17.

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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18.

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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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Loseva G. V., Ovchinnikov S. G., Balaev A. D., Kiselev N. I.
Заглавие : Metal-dielectric transitions, magnetism, and electronic structure in a system of manganese-doped vanadium sulfides
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 3. - P539-543. - ISSN 1063-7834, DOI 10.1134/1.1131245
Примечания : Cited References: 12
Предметные рубрики: TRANSPORT
Аннотация: The effect of the manganese doping of vanadium monosulfide in a system of the V1-xMnxS (0 x less than or equal to 0.3) solid solutions on their structure and thermal, electrical, and magnetic properties has been investigated. The metal-dielectric transitions are revealed in the studied ranges of concentrations and temperatures. These transitions are accompanied by a change in the magnetic properties. It is demonstrated that the correlation in changes of the electrical and magnetic properties of the sulfides under investigation is characteristic of the metal-dielectric transitions in strongly correlated systems. (C) 2000 MAIK "Nauka/Interperiodica".
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lundin U., Sandalov I., Eriksson O., Johansson B.
Заглавие : Modification of the standard model for the lanthanides
Место публикации : Solid State Commun.: PERGAMON-ELSEVIER SCIENCE LTD, 2000. - Vol. 115, Is. 1. - P7-12. - ISSN 0038-1098, DOI 10.1016/S0038-1098(00)00126-5
Примечания : Cited References: 33
Предметные рубрики: ELECTRONIC-STRUCTURE CALCULATIONS
DENSITY-FUNCTIONAL THEORY
PARTICLE BAND-STRUCTURE
AB-INITIO CALCULATIONS
FERROMAGNETIC NICKEL
COHESIVE PROPERTIES
CRYSTAL-STRUCTURE
MOTT INSULATORS
FERMION SYSTEMS
PR METAL
Ключевые слова (''Своб.индексиров.''): metals--electronic band structure--band structure--elastic moduli--kohn-sham scheme--rare earth elements
Аннотация: We show that incorporation of strong electron correlations into the Kohn-Sham scheme of band structure calculations leads to a modification of the standard model of the lanthanides and that this procedure removes the existing discrepancy between theory and experiment concerning the ground state properties. Within the picture suggested, part of the upper Hubbard f-band is occupied due to conduction band-f-mixing interaction (that is renormalized due to correlations) and this contributes to the cohesive energy of the crystal. The lower Hubbard band has zero width and describes fermionic excitations in the shell of localized f-s. Fully self-consistent calculations (with respect to both charge density and many-electron population numbers of the f-shell) of the equilibrium volume V-0 and the bulk modulus of selected lanthanides have been performed and a good agreement with experiment is obtained. (C) 2000 Elsevier Science Ltd. All rights reserved.
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