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Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2013. - Vol. 87, Is. 8. - P. 1332-1335, DOI 10.1134/S0036024413080141. - Cited References: 25 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
AB-INITIO
   THIN-FILMS
   NANOTUBES
   ENERGY
Кл.слова (ненормированные):
silicon carbide monolayer -- density functional theory
Аннотация: The geometrical characteristics of a 2D SiC monolayer on Mg(0001) and MgO(111) plates regarded as potential materials for growing two-dimensional silicon carbide were studied. The most favorable positions of the atoms of 2D SiC on the substrates were determined. In the 2D SiC/Mg(0001) system, unlike in 2D SiC/MgO(111), the deviation of the carbon atom from the silicon carbide monolayer was insignificant (0.08 ). Consequently, magnesium can be used as a substrate for growing two-dimensional silicon carbide. The use of MgO(111) is not recommended because of a significant distortion of the 2D SiC surface.

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Публикация на русском языке Возможность образования монослоя 2D SIC на подложках Mg(0001) и MgO(111). - [S. l. : s. n.]

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk, Russia
Siberian State Univ Technol, Krasnoyarsk, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Krasnov, P. O.; Краснов, Павел Олегович; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович; Tolstaya, A. V.
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Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride / V. V. Atuchin [et al.] // J. Phys. Chem. C. - 2012. - Vol. 116, Is. 18. - P. 10162-10170, DOI 10.1021/jp302020f. - Cited References: 64. - We thank Dr. A.M. Ziatdinov for the electron paramagnetic resonance measurements. This study was partly supported by SB RAS (Grant 28). . - ISSN 1932-7447

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
RAY PHOTOELECTRON-SPECTROSCOPY
   PHASE-TRANSITIONS
   CORE LEVELS
   SURFACE CHARACTERIZATION
   CRYSTAL-STRUCTURE
   CLEAVED SURFACE
   MIXED-VALENCE
   OXIDES
   MN
   MOLYBDENUM
   Chemical bondings
   Cubic phase
   Energy differences
   Heat capacity measurements
   Oxyfluorides
   Powder samples
   Solid-state synthesis
   Space Groups
   Temperature range
   Valence electron
   Binding energy
   Chemical bonds
   Electronic structure
   Fluorine compounds
   Magnetic properties
   Metal ions
   Photoelectrons
   Rietveld method
   X ray photoelectron spectroscopy
   Electronic properties
Аннотация: A powder sample of CsMnMoO3F3 oxyfluoride has been prepared by solid state synthesis. The pyrochlore-related crystal structure of CsMnMoO3F3 has been refined by the Rietveld method at T = 298 K (space group Fd-3m, a = 10.59141(4) angstrom, V = 1188.123(8) angstrom(3); R-B = 3.44%). The stability of the cubic phase has been obtained over the temperature range T = 110-293 K by heat capacity measurements. Magnetic properties have been measured over the range of T = 2-300 K. The electronic structure of CsMnMoO3F3 has been evaluated by X-ray photoelectron spectroscopy. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and wide comparison with related oxides and fluorides. The competition between O-2(-) and F- ions for metal valence electrons has been found.

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Держатели документа:
Atuchin, Victor V.
Gavrilova, Tatyana A.
Kesler, Valery G.] SB RAS, Inst Semicond Phys, Novosibirsk 630090, Russia
Molokeev, Maxim S.
Yurkin, Gleb Yu.
Flerov, Igor N.
Patrin, Gennadii S.] SB RAS, Inst Phys, Krasnoyarsk 660036, Russia
Laptash, Natalia M.] FEB RAS, Inst Chem, Vladivostok 690022, Russia
Flerov, Igor N.
Patrin, Gennadii S.] Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia

Доп.точки доступа:
Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yurkin, G. Yu.; Юркин, Глеб Юрьевич; Gavrilova, T. A.; Kesler, V. G.; Laptash, N. M.; Flerov, I. N.; Флёров, Игорь Николаевич; Patrin, G. S.; Патрин, Геннадий Семёнович
}
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Correlation of magnetic anisotropy energy and order parameter in nanostructured CoPt particles / S. V. Komogortsev [и др.] // V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism : abstracts. - Vladivostok : FEFU, 2013 = EASTMag-2013. - P70 . - ISBN 978-5-7444-3124-2

Доп.точки доступа:
Komogortsev, S. V.; Комогорцев, Сергей Викторович; Iskhakov, R. S.; Исхаков, Рауф Садыкович; Zimin, A. A.; Зимин, А. А.; Korenev, S. V.; Коренев С.В.; Filatov, E. Yu.; Филатов Е.Ю.; Shubin, Yu. V.; Шубин Ю.В.; Chizhik, N. A.; Чижик Н.А.; Yurkin, G.Yu.; Юркин, Глеб Юрьевич; Eremin, E. V.; Еремин, Евгений Владимирович; Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism(5 ; 2013 ; Sept. ; 15-21 ; Vladivostok)
}
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    Korshunov, M. M.
    Three-orbital model for Fe-pnictides / M. M. Korshunov, Y. N. Togushova, I. Eremin // J. Supercond. Nov. Magn. - 2013. - Vol. 26, Is. 8. - P. 2665-2668, DOI 10.1007/s10948-013-2156-x . - ISSN 1557-1939
   Перевод заглавия: Трехорбитальная модель ферропниктидов
Кл.слова (ненормированные):
Fe-based superconductors -- Low-energy model -- Spin susceptibility -- Fe-based superconductors -- Iron-based superconductors -- Pairing interactions -- Spin susceptibility -- High temperature superconductors -- Magnetic susceptibility -- Superconductivity
Аннотация: We formulate and study the three-orbital model for iron-based superconductors. Results for the band structure, Fermi surface, and the spin susceptibility in both normal and superconducting s В± states are presented. We also discuss the pairing interaction and show that the dominant part of it should come from the intraorbital scattering. В© 2013 Springer Science+Business Media New York.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Ruhr Univ Bochum, Inst Theoret Phys 3, D-44801 Bochum, Germany
Kazan Fed Univ, Kazan 420008, Russia

Доп.точки доступа:
Togushova, Yu. N.; Eremin, I.; Коршунов, Максим Михайлович
}
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Nesterov, A. I.
Quench dynamics in spin crossover induced by high pressure / A. I. Nesterov, S. G. Ovchinnikov, G. A. Iaroshenko // Cent. Eur. J. Phys. - 2013. - Vol. 11, Is. 7. - P. 894-903, DOI 10.2478/s11534-013-0273-6. - Art. in press . - ISSN 1895-1082
Кл.слова (ненормированные):
energy level crossing -- quantum phase transition -- spin crossover
Аннотация: In this paper we have analytically and numerically studied the dynamics of spin crossover induced by time-dependent pressure. We show that quasi static pressure, with a slow dependence on time, yields a spin crossover leading to transition from the high spin (HS) quantum system state to the low spin (LS) state. However, quench dynamics under shockwave load are more complicated. The final state of the system depends on the amplitude and pulse velocity, resulting in the mixture of the HS and LS states. В© 2013 Versita Warsaw and Springer-Verlag Wien.

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Держатели документа:
Univ Guadalajara, CUCEI, Guadalajara 44420, Jalisco, Mexico
SB RAS, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Inst Engeniering Phys & Radioelect, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Iaroshenko, G. A.; Ярошенко, Григорий Александрович
}
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Correlation of magnetic anisotropy energy and order parameter in nanostuctured CoPt particles / S. V. Komogortsev [и др.] // V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism : abstracts. - Vladivostok : FEFU, 2013. - P246 . - ISBN 978-5-7444-3124-2

Доп.точки доступа:
Komogortsev, S. V.; Комогорцев, Сергей Викторович; Iskhakov, R. S.; Исхаков, Рауф Садыкович; Zimin, A. A.; Зимин, А. А.; Filatov, E. Yu. ; Филатов Е.Ю.; Korenev, S. V. ; Коренев С.В.; Shubin, Yu. V. ; Шубин Ю.В.; Chizhik, N. A. ; Чижик Н.А.; Yurkin, G.Yu.; Юркин, Глеб Юрьевич; Eremin, E. V.; Еремин, Евгений Владимирович; Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism(5 ; 2013 ; Sept. ; 15-21 ; Vladivostok)
}
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Spectrum of localized states in graphene quantum dots and wires / V. V. Zalipaev [et al.] // Phys. Lett. A. - 2013. - Vol. 377, Is. 3-4. - P. 216-221, DOI 10.1016/j.physleta.2012.11.028 . - ISSN 0375-9601
Кл.слова (ненормированные):
Generalized Bohr-Sommerfeld quantization condition -- Graphene -- High-energy eigenstates -- Semiclassical approximation -- Tunneling
Аннотация: We developed semiclassical method and show that any smooth potential in graphene describing elongated a quantum dot or wire may behave as a barrier or as a trapping well or as a double barrier potential, Fabry-Perot structure, for 1D Schrodinger equation. The energy spectrum of quantum wires has been found and compared with numerical simulations. We found that there are two types of localized states, stable and metastable, having finite life time. These life times are calculated, as is the form of the localized wave functions which are exponentially decaying away from the wire in the perpendicular direction. В© 2012 Elsevier B.V. All rights reserved.

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Держатели документа:
Univ Loughborough, Dept Math Sci, Loughborough LE11 3TU, Leics, England
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Univ Loughborough, Dept Phys, Loughborough LE11 3TU, Leics, England

Доп.точки доступа:
Zalipaev, V. V.; Maksimov, D. N.; Максимов, Дмитрий Николаевич; Linton, C. M.; Kusmartsev, F. V.
}
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Ignatchenko, V. A.
Spin waves in multilayers with different magnitudes of the magnetization, exchange, and anisotropy / V. A. Ignatchenko, D. S. Tsikalov // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 71-74, DOI 10.4028/www.scientific.net/SSP.190.71 . - ISBN 1012-0394. - ISBN 9783037854365
Кл.слова (ненормированные):
Band gaps -- Magnonic crystals -- Rectangular and sinusoidal modulation -- Spin waves -- Superlattices -- Adjacent layers -- Magnetic parameters -- Magnon crystals -- Magnonic crystals -- Material parameter -- Sinusoidal modulation -- Spin-wave spectrum -- Energy gap -- Magnetic materials -- Spin waves -- Superlattices -- Multilayers
Аннотация: The spin-wave spectrum in one-dimensional magnon crystals - periodic superlattices (SLs) is investigated for the rectangular and sinusoidal modulation profile of the material parameters. The dependences of band gaps in the spectrum on both the difference of the magnetic parameters in adjacent layers and the ratio of the layer thicknesses are calculated. В© (2012) Trans Tech Publications.

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Доп.точки доступа:
Tsikalov, D. S.; Цикалов, Денис Сергеевич; Игнатченко, Вальтер Алексеевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
}
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Magnetic properties and L1 0 phase formation in CoPt nanoparticles / S. V. Komogortsev [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 159-162, DOI 10.4028/www.scientific.net/SSP.190.159 . - ISBN 1012-0394. - ISBN 9783037854365
Кл.слова (ненормированные):
Hard magnetic -- Magnetic anisotropy -- Magnetic nanoparticles -- Remnant magnetization -- Annealing time -- CoPt nanoparticles -- Disorder-order -- Domain formation -- Hard magnetic -- Magnetic anisotropy energy -- Magnetic nanoparticles -- Phase formations -- Remnant magnetization -- Decomposition -- Magnetic anisotropy -- Magnetic materials -- Remanence -- Nanoparticles
Аннотация: The effect of the atomic disorder-order transformation on remanence, coercivity and magnetic anisotropy energy in CoPt nanoparticles prepared by thermal decomposition and annealed at 400oC for 4 and 16 hours has been studied. The observed remanence and magnetic anisotropy energy enhancement versus annealing time are discussed in the terms of ordering domain formation inside nanoparticles. В© (2012) Trans Tech Publications.

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Доп.точки доступа:
Komogortsev, S. V.; Комогорцев, Сергей Викторович; Chizhik, N. A.; Чижик Н.А.; Filatov, E. Yu.; Филатов Е.Ю.; Korenev, S. V.; Коренев С.В.; Shubin, Yu.V.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Iskhakov, R. S.; Исхаков, Рауф Садыкович; Yurkin, G.Yu.; Юркин, Глеб Юрьевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
}
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10.

Krasnov, P. O.
Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings / P. O. Krasnov, N. S. Eliseeva, A. A. Kuzubov // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 1. - P. 80-84, DOI 10.1134/S1063776111160059. - Cited References: 25. - We are grateful to the Joint Supercomputer Center, Russian Academy of Sciences, for the possibility of using the computer cluster for our quantum-chemical calculations. This work was supported by the Ministry of Education and Science of the Russian Federation (federal program "Human Capital for Science and Education in Innovative Russia" for 2009-2013). . - ISSN 1063-7761. - ISSN 1090-6509

РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE
   NANOTUBES
   TRANSITION
   ENERGY
   TEMPERATURE
   EXCHANGE
   DYNAMICS
   METALS
   C60
Аннотация: The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

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Публикация на русском языке Краснов, Павел Олегович. Взаимодействие атомов скандия и титана с углеродной поверхностью, содержащей пятичленные и семичленные кольца [Текст] / П. О. Краснов, Н. С. Елисеева, А. А. Кузубов // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 1. - С. 90-95

Держатели документа:
[Krasnov, P. O.
Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Krasnov, P. O.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Краснов, Павел Олегович; Ministry of Education and Science of the Russian Federation
}
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