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Amitin, L. N.
Comparison of the electronic-structure of CSPbCl3, PBCL2, and CSCaCl3 on the basis of optical spectroscopy data / L. N. Amitin, A. T. Anistratov, A. I. Kuznetsov // Phys. Status Solidi B. - 1980. - Vol. 101, Is. 1. - P. K65-K73, DOI 10.1002/pssb.2221010160. - Cited References: 10 . - ISSN 0370-1972

РУБ Physics, Condensed Matter

WOS
Держатели документа:
ACAD SCI USSR,INST PHYS,KRASNOYARSK,USSR
ИФ СО РАН
Доп.точки доступа:
Anistratov, A. T.; Анистратов, Анатолий Тихонович; Kuznetsov, A. I.
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Goryachev, E. G.
The electronic-spectrum and the metal-insulator-transition in the hubbard-model / E. G. Goryachev, E. V. Kuzmin, S. G. Ovchinnikov // Phys. Lett. A. - 1981. - Vol. 85, Is. 4. - P. 236-238, DOI 10.1016/0375-9601(81)90025-6. - Cited References: 4 . - ISSN 0375-9601

РУБ Physics, Multidisciplinary

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Scopus
Держатели документа:
Institute of Physics, Siberian Department, the Academy of Sciences, Krasnoyarsk, Russian Federation
ИФ СО РАН
Доп.точки доступа:
Kuzmin, E. V.; Кузьмин, Евгений Всеволодович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Горячев, Евгений Геннадьевич
}
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Temperature-dependence of the meridional Kerr effect and electronic-transitions in Y3Fe5O12 / G. G. VASILYEV [и др.] // Fiz. Tverd. Tela. - 1990. - Vol. 32, Is. 1. - P. 269-271. - Cited References: 5 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

WOS

Доп.точки доступа:
VASILYEV, G. G.; EDELMAN, I. S.; PETROV, V. E.; Berzhanskii, V. N.; Бержанский, Владимир Наумович
}
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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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Churilov, G. N.
Two new discharges for production of fullerenes and nanotubes / G. N. Churilov // Progress in fullerene research / ed. H. Kuzmany [et al.]. - Singapore ; New Jersey ; London : World Scientific, 1994. - P. 135-138 . - ISBN 978-9810218874. - ISBN 981-02-1887-7

Доп.точки доступа:
Kuzmany, Hans \ed.\; Fink, Jorg \ed.\; Mehring, Michael \ed.\; Roth, Siegmar \ed.\; Чурилов, Григорий Николаевич; International Winterschool on Electronic Properties of Novel Materials(2 ; 1994 ; 5-12 March ; Kirchberg / Tyrol, Austria)
Нет сведений об экземплярах (Источник в БД не найден)
}
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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.
THE INFLUENCE OF THE ANTIFERROMAGNETISM ON THE ELECTRONIC-STRUCTURE OF LA2CUO4 / S. . OVCHINNIKOV // J. Supercond. - 1995. - Vol. 8: University-of-Miami Workshop on High-Temperature Superconductivity - Physical Properties and Mechanisms (JAN 05-11, 1995, CORAL GABLES, FL), Is. 5. - P. 675-676, DOI 10.1007/BF00727473. - Cited References: 15 . - ISSN 0896-1107

РУБ Physics, Applied + Physics, Condensed Matter
Рубрики:
OXIDES
MODEL
Кл.слова (ненормированные):
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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Держатели документа:
L.V.Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation
}
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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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10.

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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}
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11.

Avramov, P. V.
Underestimating the width of the bandgap in the electronic spectra of La2CuO4 / P. V. Avramov, S. G. Ovchinnikov // Phys. Solid State. - 1997. - Vol. 39, Is. 3. - P. 389-391, DOI 10.1134/1.1129865. - Cited References: 9 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Держатели документа:
L. V. Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036 Krasnoyarsk, Russian Federation
ИФ СО РАН

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Аврамов, Павел Вениаминович
}
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12.

Ovchinnikov, S. G.
Quasiparticles in strongly correlated electronic systems in cuprate oxides / S. G. Ovchinnikov // Uspekhi Fiz. Nauk. - 1997. - Vol. 167, Is. 10. - P. 1043-1068. - Cited References: 227 . - ISSN 0042-1294

РУБ Physics, Multidisciplinary
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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Доп.точки доступа:
Овчинников, Сергей Геннадьевич
}
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13.

Magnetic phases of FexV1-xS and their electronic structure / G. V. Loseva [et al.] // Phys. Solid State. - 1998. - Vol. 40, Is. 10. - P. 1715-1717, DOI 10.1134/1.1130641. - Cited References: 10 . - ISSN 1063-7834

РУБ Physics, Condensed Matter

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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia
ИФ СО РАН

Доп.точки доступа:
Loseva, G. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Yakubailik, E. K.; Якубайлик, Эдуард Константинович; Kiselev, N. I.; Gaidalova, T. A.
}
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14.

Low-temperature electronic and magnetic transitions in the antiferromagnetic semiconductor Cr0.5Mn0.5S / G. A. Petrakovskii [et al.] // Phys. Solid State. - 1999. - Vol. 41, Is. 9. - P. 1520-1524, DOI 10.1134/1.1131014. - Cited References: 13 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Публикация на русском языке Низкотемпературные электронные и магнитные переходы в антиферромагнитном полупроводнике Cr0.5Mn0.5S [Текст] / Г. А. Петраковский, Л. И. Рябинкина, Д. А. Великанов [и др.] // Физ. тверд. тела. - Санкт-Петербург, 1999. - Т. 41 Вып. 9. - С. 1660-1664

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

Доп.точки доступа:
Petrakovskii, G. A.; Петраковский, Герман Антонович; Ryabinkina, L. I.; Рябинкина, Людмила Ивановна; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Aplesnin, S. S.; Аплеснин, Сергей Степанович; Abramova, G. M.; Абрамова, Галина Михайловна; Kiselev, N. I.; Bovina, A. F.; Бовина, Ася Федоровна
}
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15.

Fedorov, A. S.
Employment of curvilinear coordinates in ab initio calculations of insulators using pseudopotentials / A. S. Fedorov // Phys. Solid State. - 1999. - Vol. 41, Is. 2. - P. 213-218, DOI 10.1134/1.1131090. - Cited References: 17 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Федоров, Александр Семенович
}
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16.

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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17.

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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18.

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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19.

Metal-dielectric transitions, magnetism, and electronic structure in a system of manganese-doped vanadium sulfides / G. V. Loseva [et al.] // Phys. Solid State. - 2000. - Vol. 42, Is. 3. - P. 539-543, DOI 10.1134/1.1131245. - Cited References: 12 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Loseva, G. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Balaev, A. D.; Балаев, Александр Дмитриевич; Kiselev, N. I.
}
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20.

Modification of the standard model for the lanthanides / U. . Lundin [et al.] // Solid State Commun. - 2000. - Vol. 115, Is. 1. - P. 7-12, DOI 10.1016/S0038-1098(00)00126-5. - Cited References: 33 . - ISSN 0038-1098

РУБ Physics, Condensed Matter
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
Кл.слова (ненормированные):
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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Держатели документа:
Univ Uppsala, Dept Phys, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Condensed Matter Theory Group, Dept. Phys., Univ. Uppsala, B., Uppsala, Sweden
Kirensky Institute of Physics, Russian Academy of Sciences, 660036, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Lundin, U.; Sandalov, I.; Eriksson, O.; Johansson, B.
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