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Общее количество найденных документов : 322
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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Krasnov P. O., Tomilin F. N., Fedorov A. S., Tolstaya A. V.
Заглавие : Possibility of a 2D SiC monolayer formation on Mg(0001) and MgO(111) substrates
Место публикации : Russ. J. Phys. Chem. A: MAIK Nauka-Interperiodica / Springer, 2013. - Vol. 87, Is. 8. - P.1332-1335. - ISSN 0036-0244, DOI 10.1134/S0036024413080141
Примечания : Cited References: 25
Предметные рубрики: AB-INITIO
THIN-FILMS
NANOTUBES
ENERGY
Ключевые слова (''Своб.индексиров.''): 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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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Molokeev M. S., Yurkin G. Yu., Gavrilova T. A., Kesler V. G., Laptash N. M., Flerov I. N., Patrin G. S.
Заглавие : Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride
Место публикации : J. Phys. Chem. C: American Chemical Society, 2012. - Vol. 116, Is. 18. - P.10162-10170. - ISSN 1932-7447, DOI 10.1021/jp302020f
Примечания : 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).
Предметные 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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3.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Komogortsev S. V., Iskhakov R. S., Zimin A. A., Korenev S. V., Filatov E. Yu., Shubin Yu. V., Chizhik N. A., Yurkin G.Yu., Eremin E. V.
Заглавие : Correlation of magnetic anisotropy energy and order parameter in nanostructured CoPt particles
Коллективы : Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism
Место публикации : V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism: abstracts. - Vladivostok: FEFU, 2013. - С. 70. - ISBN 978-5-7444-3124-2
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Togushova Yu. N., Eremin I.
Заглавие : Three-orbital model for Fe-pnictides
Место публикации : J. Supercond. Nov. Magn. - 2013. - Vol. 26, Is. 8. - P.2665-2668. - ISSN 1557-1939, DOI 10.1007/s10948-013-2156-x
Ключевые слова (''Своб.индексиров.''): 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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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nesterov A. I., Ovchinnikov S. G., Iaroshenko G. A.
Заглавие : Quench dynamics in spin crossover induced by high pressure
Место публикации : Cent. Eur. J. Phys. - 2013. - Vol. 11, Is. 7. - P.894-903. - ISSN 1895-1082, DOI 10.2478/s11534-013-0273-6
Примечания : Art. in press
Ключевые слова (''Своб.индексиров.''): 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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6.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Komogortsev S. V., Iskhakov R. S., Zimin A. A., Filatov E. Yu. , Korenev S. V. , Shubin Yu. V. , Chizhik N. A. , Yurkin G.Yu., Eremin E. V.
Заглавие : Correlation of magnetic anisotropy energy and order parameter in nanostuctured CoPt particles
Коллективы : Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism
Место публикации : V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism: abstracts. - Vladivostok: FEFU, 2013. - С. 246. - ISBN 978-5-7444-3124-2
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zalipaev V. V., Maksimov D. N., Linton C. M., Kusmartsev F. V.
Заглавие : Spectrum of localized states in graphene quantum dots and wires
Место публикации : Phys. Lett. A. - 2013. - Vol. 377, Is. 3-4. - P.216-221. - ISSN 0375-9601, DOI 10.1016/j.physleta.2012.11.028
Ключевые слова (''Своб.индексиров.''): 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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8.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ignatchenko V. A., Tsikalov D. S.
Заглавие : Spin waves in multilayers with different magnitudes of the magnetization, exchange, and anisotropy
Коллективы : Moscow International Symposium on Magnetism
Место публикации : Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P.71-74. - ISBN 1012-0394, DOI 10.4028/www.scientific.net/SSP.190.71. - ISBN 9783037854365
Ключевые слова (''Своб.индексиров.''): 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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9.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Komogortsev S. V., Chizhik N. A., Filatov E. Yu., Korenev S. V., Shubin Yu.V., Velikanov D. A., Iskhakov R. S., Yurkin G.Yu.
Заглавие : Magnetic properties and L1 0 phase formation in CoPt nanoparticles
Коллективы : Moscow International Symposium on Magnetism
Место публикации : Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P.159-162. - ISBN 1012-0394, DOI 10.4028/www.scientific.net/SSP.190.159. - ISBN 9783037854365
Ключевые слова (''Своб.индексиров.''): 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krasnov P. O., Eliseeva N. S., Kuzubov A. A.
Заглавие : Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 1. - P.80-84. - ISSN 1063-7761, DOI 10.1134/S1063776111160059. - ISSN 1090-6509
Примечания : 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).
Предметные 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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