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1.


   
    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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2.


    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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3.


    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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4.


    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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5.


   
    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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6.


   
    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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7.


    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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8.


   
    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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9.


    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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10.


    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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11.


   
    Weak antiferromagnet iron borate FeBO3. classical object for magnetism and the state of the art / S. G. Ovchinnikov, V. V. Rudenko, N. V. Kazak [et al.] // J. Exp. Theor. Phys. - 2020. - Vol. 131, Is. 1. - P. 177-188, DOI 10.1134/S106377612007016X. - Cited References: 74. - This work was supported by the Russian Science Foundation, project no. 18-12-00022 . - ISSN 1063-7761. - ISSN 1090-6509
Рубрики:
ELECTRONIC-STRUCTURE
   TRANSITION

   RESONANCE

   FERROMAGNETISM

   DEPENDENCE

Аннотация: The simple lattice and magnetic structure, the high Neel temperature, the narrow antiferromagnetic resonance line of FeBO3, and the narrow electron paramagnetic resonance line of its isostructural diamagnetic analogs MBO3:Fe3+(M = Ga, In, Sc, Lu) make iron borate unique for investigations and applications. Iron borate is a model crystal for numerous experimental and theoretical studies, including spin crossovers and metallization at megabar pressures and many-electron effects in optics and X-ray spectroscopy. The recent works dealing with the investigation of the properties of FeBO(3)are reviewed.

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Публикация на русском языке Слабый ферромагнетик борат железа FeBO3. Классический объект для магнетизма и современное состояние исследований [Текст] / С. Г. Овчинников, В. В. Руденко, Н. В. Казак [и др.] // Журн. эксперим. и теор. физ. - 2020. - Т. 158 Вып. 1. - С. 184-197

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Rudenko, V. V.; Руденко, Валерий Васильевич; Kazak, N. V.; Казак, Наталья Валерьевна; Edelman, I. S.; Эдельман, Ирина Самсоновна; Gavrichkov, V. A.; Гавричков, Владимир Александрович; Russian Science FoundationRussian Science Foundation (RSF) [18-12-00022]
}
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12.


    Komarov, K. K.
    Effect of Coulomb repulsion on the London penetration depth in cuprate superconductors / K. K. Komarov, D. M. Dzebisashvili // Phys. Scr. - 2020. - Vol. 95, Is. 6. - Ст. 065806, DOI 10.1088/1402-4896/ab8163. - Cited References: 57. - The work was financially supported by the Russian Foundation for Basic Research (project #18-02-00837, #20-32-70059), the Government of Krasnoyarsk Region, the Krasnoyarsk Regional Science and Technology Support Fund (projects: #18-42-240014 'One-orbit effective model of an ensemble of spin-polaron quasiparticles in the problem of describing the intermediate state and pseudogap behavior of cuprate superconductors' and #18-42-243002 'Manifestation of spin-nematic correlations in spectral characteristics of electronic structure and their influence on practical properties of cuprate superconductors'). The work of KKK was supported by the Council for Grants of the President of the Russian Federation (project MK-1641.2020.2). . - ISSN 0031-8949. - ISSN 1402-4896
Рубрики:
ELECTRONIC-STRUCTURE
   SUPERFLUID DENSITY

   QUASI-PARTICLES

   2-BAND MODEL

Кл.слова (ненормированные):
strongly correlated electron systems -- Mott-Hubbard materials -- high-temperature superconductivity -- spin-charge coupling -- Coulomb repulsion -- London penetration depth
Аннотация: We study the effect of Coulomb repulsion between oxygen holes on the London penetration depth λ based on the concept of spin-polaron nature of Fermi quasiparticles in cuprates superconductors. It is shown that for the generally accepted values of the parameters of the spin-fermion model, taking into account the Coulomb interaction, both the one-site Hubbard U p and interaction between holes on the next-nearest-neighbor oxygen ions V 2, allows one to achieve a much better agreement of the calculated temperature dependencies of the value λ −2 with the experimental data in La2−x Sr x CuO4 in a wide range around optimal doping.

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Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.

Доп.точки доступа:
Dzebisashvili, D. M.; Дзебисашвили, Дмитрий Михайлович; Комаров, Константин Константинович; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-02-00837, 20-32-70059]; Government of Krasnoyarsk Region; Krasnoyarsk Regional Science and Technology Support Fund [18-42-240014, 18-42-243002]; Council for Grants of the President of the Russian Federation [MK-1641.2020.2]
}
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13.


   
    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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14.


    Mitskan, V. A.
    Implementation of the concept of spin polaron in cuprate superconductors within the diagram technique / V. A. Mitskan, M. M. Korovushkin, D. M. Dzebisashvili // JETP Letters. - 2021. - Vol. 114, Is. 5. - P. 289-295, DOI 10.1134/S0021364021170094. - Cited References: 43. - This work was supported by the Russian Foundation for Basic Research, project nos. 18-02-00837 and 20-32-70059 . - ISSN 0021-3640. - ISSN 1090-6487
РУБ Physics, Multidisciplinary
Рубрики:
ELECTRONIC-STRUCTURE
   ELEMENTARY EXCITATIONS

   QUASI-PARTICLES

Аннотация: The spectral properties of an ensemble of spin-polaron quasiparticles have been studied within the spin–fermion model of cuprate superconductors using the method combining the Feynman diagram technique and the diagram technique for spin operators. It has been shown that strong spin–charge coupling results in the formation of the lower spin-polaron band separated by a wide energy gap from the band of bare holes. It has been shown that the spin-polaron band has a local minimum near the (π/2, π/2) point of the Brillouin zone. A class of diagrams for the self-energy part that have a fundamental significance for the description of the main features of the spin-polaron spectrum has been determined.

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Публикация на русском языке Мицкан, Виталий Александрович. Реализация концепции спинового полярона в купратных сверхпроводниках на основе диаграммной техники [Текст] / В. А. Мицкан, М. М. Коровушкин, Д. М. Дзебисашвили // Письма в ЖЭТФ. - 2021. - Т. 114 Вып. 5. - С. 339-345

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Fed Res Ctr KSC, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Korovushkin, M. M.; Коровушкин, Максим Михайлович; Dzebisashvili, D. M.; Дзебисашвили, Дмитрий Михайлович; Мицкан, Виталий Александрович
}
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15.


   
    A novel red-emitting La2CaHfO6:Mn4+ phosphor based on double perovskite structure for pc-WLEDs lighting / G. C. Xing [et al.] // CrystEngComm. - 2019. - Vol. 21, Is. 23. - P. 3605-3612, DOI 10.1039/c9ce00556k. - Cited References: 47. - This work is financially supported by the National Natural Science Foundation of China (NSFC No. 51672259). . - ISSN 1466-8033
   Перевод заглавия: Новый красный люминофор La2CaHfO6: Mn4+ на основе структуры двойного перовскита для светодиодных ламп pc-WLED
РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
LUMINESCENCE PROPERTIES
   ELECTRONIC-STRUCTURE

   OPTICAL-PROPERTIES

   SITE

Аннотация: Non-rare earth doped oxides with red emission are one of the current research hotspots for achieving the warm white light range in the phosphor converted white light emitting diodes (pc-WLEDs) field. In the current work, a novel Mn4+-activated La2CaHfO6 red phosphor is reported for the first time and its crystal structure is analyzed by Rietveld refinement. The photoluminescent properties of La2CaHfO6:Mn4+ are investigated in detail with the help of diffuse refletance spectroscopy, photoluminescence spectroscopy, and temperature-dependent PL spectroscopy. Based on the diffuse refletance spectra, the calculated optical band gap for La2CaHfO6 is 4.9 eV, indicating that La2CaHfO6 could be a suitable host for activators' doping. Under 380 nm near-ultraviolet (n-UV) light excitation, the as-prepared La2CaHfO6:Mn4+ displays intense red emission centered at 693 nm. Through an accurate calculation of Dq/B (2.47) and nephelauxetic effect β1 (0.949), the origination of strong crystal field (CF) and deep-red emission is demonstrated. By combining the representative La2CaHfO6:0.002Mn4+, blue BAM:Eu2+, and green (Ba,Sr)2SiO4:Eu2+ phosphors with a 380 nm UV chip to fabricate the pc-WLEDs device, a white light is obtained with low correlated color temperature (CCT = 5165 K) and high color rendering index (Ra = 87.8), demonstrating that the as-prepared La2CaHfO6:Mn4+ phosphors can be used as red-emitting candidate in pc-WLEDs lighting.

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Держатели документа:
China Univ Geosci, Fac Mat Sci & Chem, Minist Educ, Engn Res Ctr Nanogeomat, 388 Lumo Rd, Wuhan 430074, Hubei, Peoples R China.
FRC KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.

Доп.точки доступа:
Xing, Gongcheng; Feng, Yuxin; Gao, Zhiyu; Tao, Mengxuan; Wang, Hongquan; Wei, Y.i.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Li, Guogang
}
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16.


    Togushova, Yu. N..
    Impurity-induced smearing of the spin resonance peak in Fe-based superconductors / Y. N. Togushova, V. A. Shestakov, M. M. Korshunov // J. Low Temp. Phys. - 2016. - Vol. 185, Is. 5-6. - P. 481-487, DOI 10.1007/s10909-016-1577-x. - Cited References:25. - We acknowledge partial support by the RFBR (Grant 13-02-01395), President Grant for Government Support of the Leading Scientific Schools of the Russian Federation (NSh-2886.2014.2), and The Ministry of education and science of Russia (GF-2, SFU). . - ISSN 0022-2291. - ISSN 1573-7357
   Перевод заглавия: Размытие спинового резонанса примесями в сверхпроводниках на основе железа
РУБ Physics, Applied + Physics, Condensed Matter
Рубрики:
HIGH-TEMPERATURE SUPERCONDUCTIVITY
   ELECTRONIC-STRUCTURE

   IRON

Кл.слова (ненормированные):
Fe-based superconductors -- Spin resonance peak -- Spin-orbit coupling -- Impurity scattering
Аннотация: The spin resonance peak in the iron-based superconductors is observed in inelastic neutron scattering experiments and agrees well with predicted results for the extended s-wave (s±) gap symmetry. On the basis of four-band and three-orbital tight-binding models we study the effect of nonmagnetic disorder on the resonance peak. Spin susceptibility is calculated in the random-phase approximation with the renormalization of the quasiparticle self-energy due to the impurity scattering in the static Born approximation. We find that the spin resonance becomes broader with the increase of disorder and its energy shifts to higher frequencies. For the same amount of disorder the spin response in the s± state is still distinct from that of the s++ state.

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Держатели документа:
Siberian Fed Univ, Svobodny Prospect 79, Krasnoyarsk 660041, Russia.
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Shestakov, V. A.; Korshunov, M. M.; Коршунов, Максим Михайлович; RFBR [13-02-01395]; President Grant for Government Support of the Leading Scientific Schools of the Russian Federation [NSh-2886.2014.2]; Ministry of education and science of Russia [GF-2, SFU]
}
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17.


    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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18.


   
    Growth, Structure, and Optical Properties of Nonlinear LiGa0.55In0.45Te2 Single Crystals / P. Krinitsin [et al.] // Cryst. Growth Des. - 2019. - Vol. 19, Is. 3. - P. 1805-1814, DOI 10.1021/acs.cgd.8b01788. - Cited References: 43. - This work was supported by state assignment project #0330-2016-0008 and partially by the Russian Foundation of Basic Research (Grant Nos. 15-02-03408a, 17-45-540775r_a, and 17-52-53031), national scientific foundations of China (Grant Nos. 11474292, 51702330, 11611530680, 91622118, and 91622124), the special foundation of the director of Technical Institute of Physics and Chemistry (TIPC), the China "863" project (No. 2015AA034203) and the Youth Innovation Promotion Association, CAS (outstanding member for Z.L. and Grant 2017035 for X.J.). Some part of the experiments was performed in the multiple-access center "High-Resolution Spectroscopy of Gases and Condensed Matter" at the IA&E SBRAS (Novosibirsk, Russia). The authors are grateful to N. F. Beisel from the Analytical laboratory of the Nikolaev Institute of Inorganic Chemistry SB RAS for atomic-emission spectral analysis of the studied crystals. . - ISSN 1528-7483. - ISSN 1528-7505
   Перевод заглавия: Синтез, структура и оптические свойства нелинейнооптического кристалла LiGa0.55In0.45Te2
РУБ Chemistry, Multidisciplinary + Crystallography + Materials Science, Multidisciplinary
Рубрики:
PHASE-MATCHING PROPERTIES
   ELECTRONIC-STRUCTURE

   MID-IR

Аннотация: In search of new nonlinear optical crystals for the mid-IR range, we grew single crystals of LiGa0.55In0.45Te2 (LGITe) of optical quality; its structure was established, and the spectroscopic properties were studied. LGITe crystallizes in a tetragonal chalcopyrite-like (I4̅2d) structure at 667 ± 5 °C. Crystals are transparent in the 0.76–14.8 μm spectral region with some absorption bands related to OH/H2O and Ge–O vibrations. Analysis of the Tauc plots showed that LGITe is a direct band gap semiconductor with the band gap Eg = 1.837 eV at 300 K. The Raman spectrum for LGITe is very similar to that for LiGaTe2: the most intense band A1 near 120 cm–1 corresponds to the Li–Te vibration. DFT calculations were carried out for the first time to simulate the energy band structure (band gap ∼1.67 eV), density of states (DOS), birefringence (0.049 at 2 μm), and nonlinear susceptibility (d14 = d36 = −48.73 pm/V). For ternary LiInTe2 these parameters are Δn = 0.007 and d14 = d36 = −61.4 pm/V, respectively. The calculated optical properties indicate that LiGa0.55In0.45Te2 is a promising mid-IR nonlinear optical crystal with nonlinear parameters higher than those of LiGaTe2.

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Держатели документа:
Sobolev Inst Geol & Mineral SB RAS, 3 Ac Koptyug Ave, Novosibirsk 630090, Russia.
Novosibirsk State Univ, 2 Pyrogova Str, Novosibirsk 630090, Russia.
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Univ Chinese Acad Sci, Beijing 100190, Peoples R China.
Inst Automat & Electrometry SB RAS, Novosibirsk 630090, Russia.

Доп.точки доступа:
Krinitsin, Pavel; Yelisseyev, Alexander; Jiang, Xingxing; Isaenko, Lyudmila; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lin, Zheshuai; Pugachev, Alexey; Russian Foundation of Basic Research [15-02-03408a, 17-45-540775r_a, 17-52-53031]; national scientific foundations of China [11474292, 51702330, 11611530680, 91622118, 91622124]; special foundation of the director of Technical Institute of Physics and Chemistry (TIPC); China "863" project [2015AA034203]; Youth Innovation Promotion Association, CAS [2017035]; [0330-2016-0008]
}
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19.


   
    Structure and optical properties of the Li2In2GeSe6 crystal / A. P. Yelisseyev [et al.] // J. Phys. Chem. C. - 2018. - Vol. 122, Is. 30. - P. 17413-17422, DOI 10.1021/acs.jpcc.8b02799. - Cited References: 49. - This work was supported by state assignment project #0330-2016-0008 and partly by the Russian Foundation of Basic Research (grants nos. 15-02-03408a, 17-45-540775r_a, and 17-52-53031), National Scientific Foundations of China (grants 11474292, 51702330, 11611530680, 91622118, and 91622124), the special foundation of the director of Technical Institute of Physics and Chemistry (TIPC), the China "863" project (no. 2015AA034203), and the Youth Innovation Promotion Association, CAS (outstanding member for Z.L. and grant 2017035 for X.J.). . - ISSN 1932-7447
   Перевод заглавия: Структура и оптические свойства в кристалле Li2In2GeSe6
РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
PHASE-MATCHING PROPERTIES
   TEMPERATURE-DEPENDENCE

   ELECTRONIC-STRUCTURE

Аннотация: Intense search for new nonlinear optical crystals for the mid-infrared region is in progress, and Li-containing quaternary chalcogenides are expected to improve transparency range, stability, phase-matching conditions, and other parameters in comparison with commercially available AgGaS2, AgGaSe2, and ZnGeP2. Single crystals of Li2In2GeSe6 up to 8 mm in size were obtained by the Bridgman- Stockbarger growth technique, and their high quality was confirmed by exciton luminescence. A monoclinic structure and direct band-to-band electronic transitions were established, and the thermal expansion was shown to be virtually isotropic. Defect-related absorption and luminescence were revealed, and the way to lower them was suggested. The electronic structure, density of states, and some optical properties were calculated from the first principles for Li2In2GeSe6. The calculated nonlinear coefficients and rather large birefringence indicate a strong phase-matching ability. These investigations demonstrate that Li2In2GeSe6 is a promising mid-infrared nonlinear optical crystal.

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Держатели документа:
RAS, Sobolev Inst Geol & Mineral, 3 Ac Koptyug Ave, Novosibirsk 630090, Russia.
Novosibirsk State Univ, 2 Pyrogova St, Novosibirsk 630090, Russia.
RAS, SB, KSC, Lab Crystal Phys,Kirensky Inst Phys,Fed Res Ctr, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China.
Univ Chinese Acad Sci, Beijing 100190, Peoples R China.

Доп.точки доступа:
Yelisseyev, A. P.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Jiang, Xingxing; Krinitsin, P. G.; Isaenko, L. I.; Lin, Zheshuai; Russian Foundation of Basic Research [15-02-03408a, 17-45-540775r_a, 17-52-53031]; National Scientific Foundations of China [11474292, 51702330, 11611530680, 91622118, 91622124]; special foundation of the director of Technical Institute of Physics and Chemistry (TIPC); China "863" project [2015AA034203]; Youth Innovation Promotion Association, CAS [2017035]; [0330-2016-0008]
}
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20.


    Aplesnin, S. S.
    Magnetoresistance effect in anion-substituted manganese chalcogenides / S. S. Aplesnin, O. B. Romanova, K. I. Yanushkevich // Phys. Status Solidi B. - 2015. - Vol. 252, Is. 8. - P. 1792-1798, DOI 10.1002/pssb.201451607. - Cited References: 35. - This study was supported by the official assignment no. 114090470016. . - ISSN 0370. - ISSN 1521-3951. -
РУБ Physics, Condensed Matter
Рубрики:
MAGNETIC-PROPERTIES
   ELECTRONIC-STRUCTURE

   SOLID-SOLUTIONS

   MnTe

   MnSe

   CONDUCTIVITY

   TRANSITION

Кл.слова (ненормированные):
Electron tunneling -- Magnetic properties -- Magnetoresistance -- Semiconductors
Аннотация: The electric and magnetic properties of anion-substituted antiferromagnetic MnSe1-xTex (0.1≤x≤0.4) semiconductors in the 77-700K temperature range and magnetic fields under 1T are studied. In the MnSe1-xTex solid solutions, negative magnetoresistance in the vicinity of the Néel temperature for x=0.1 and for composition with x=0.2 in the paramagnetic range below 270K is revealed. A dependence of the magnetic susceptibility versus the prehistory of the samples is found. The model of localized spin-polarized electrons with the localization radius depending on the magnetic field is proposed for x=0.1. In the paramagnetic range, the negative magnetoresistance and the behavior of magnetic moment are a result of orbital glass formation.

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Держатели документа:
Kirensky Institute of Physics SB RAS, Akademgorodok 50, Krasnoyarsk, Russian Federation
Siberian State Aerospace University M F Reshetnev, Krasnoyarsky Rabochy Av. 31, Krasnoyarsk, Russian Federation
Scientific-Practical Materials Research Center NAS, P. Brovski Str.19, Minsk, Belarus

Доп.точки доступа:
Romanova, O. B.; Романова, Оксана Борисовна; Янушкевич, Казимир Иосифович; Yanushkevich K. I.; Аплеснин, Сергей Степанович
}
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