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Общее количество найденных документов : 260
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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Zaitsev A. I., Molokeev M. S., Aleksandrovsky A. S., Kuzubov A. A., Ignatova N. Y., Kesler V. G.
Заглавие : Electronic structure of α-SrB[[d]]4[[/d]]O[[d]]7[[/d]]: experiment and theory
Место публикации : J. Phys.: Condens. Matter. - 2013. - Vol. 25, no. 8. - Ст.085503. - DOI 10.1088/0953-8984/25/8/085503
Аннотация: The investigation of valence band structure and electronic parameters of constituent element core levels of α-SrB4O7 has been carried out with x-ray photoemission spectroscopy. Optical-quality crystal α-SrB4O7 has been grown by the Czochralski method. Detailed photoemission spectra of the element core levels have been recorded from the powder sample under excitation by nonmonochromatic Al Kα radiation (1486.6 eV). The band structure of α-SrB4O7 has been calculated by ab initio methods and compared to XPS measurements. It has been found that the band structure of α-SrB4O7 is weakly dependent on the Sr-related states.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Korshunov M. M., Makarov I. A., Shneyder E. I.
Заглавие : Quantum phase transitions and superconductivity in single- and two-layer cuprates in the multiband theory of Hubbard fermions
Место публикации : J. Supercond. Nov. Magn. - 2013. - Vol. 26, Is. 8. - P.2607-2609. - ISSN 1557-1939, DOI 10.1007/s10948-013-2144-1. - ISSN 1557-1947
Аннотация: We consider the doping dependence of the normal and superconducting properties of La2Sr2−x CuO2 and YBa2Cu3O7 in the low energy effective model based on the ab initio LDA+GTB calculations. With doping we have found a concentration region with electronic instability of the uniform state. We have shown that two quantum phase transitions (QPT) of the Lifshitz type correspond well to the experimental phase diagram. For superconducting state we have considered both magnetic and phonon mechanisms of pairing.
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3.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Aleksandrovsky A. S., Atuchin V. V., Kesler V. G., Zaitsev A. I., Molokeev M. S., Kuzubov A. A., Ignatova N. Y.
Заглавие : Electronic structure of α-SrB4O7: Experiment and theory
Коллективы : Russian-French workshop on Nanosciences and Nanotechnologies, Российская академия наук, Сибирское отделение РАН, Институт неорганической химии им. А.В. Николаева Сибирского отделения РАН, Институт катализа им. Г.К. Борескова Сибирского отделения РАН, Институт физики полупроводников им. А.В. Ржанова Сибирского отделения РАН
Место публикации : The 7th Russian-French workshop on Nanosciences and Nanotechnologies: Program and abstract book/ ed. A. V. Okotrub. - Novosibirsk, 2013. - P.47. - ISBN 978-5-901688-29-8
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4.

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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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Korshunov M. M., Nikolaev S., Shneyder E. I., Krinitsyn A.
Заглавие : Normal and superconducting properties of cuprates in multielectron theory
Место публикации : J. Supercond. Nov. Magn. - 2013. - Vol. 26, Is. 9. - P.2831-2835. - ISSN 1557-1939, DOI 10.1007/s10948-013-2263-8
Ключевые слова (''Своб.индексиров.''): cluster perturbation theory--fermi surface reconstruction--strong electron correlations
Аннотация: We consider the doping dependence of the normal and superconducting properties of La2-x Srx CuO4 in the low energy effective model based on the ab initio LDA+GTB calculations. We have found that two quantum phase transitions (QPT) of the Lifshitz type correspond well to the experimental phase diagram. For superconducting state, we have considered both magnetic and phonon mechanisms of pairing. Finally, we compare the true Fermi surface and the spectral intensity map seen in ARPES within a new norm conserving cluster perturbation theory (NC-CPT). В© 2013 Springer Science+Business Media New York.
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6.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Orlov Yu.S., Ovchinnikov S. G., Dudnikov V. A., Fedorov A. S., Kuzubov A. A.
Заглавие : Structural properties and high temperature spin and electronic transitions in GdCoO[[d]]3[[/d]]: experiment and theory
Коллективы : Euro-Asian Symposium "Trends in MAGnetism": Nanomagnetism
Место публикации : V Euro-Asian simposium "Trend in MAGnetism": Nanomagnetism: abstracts. - Vladivostok: FEFU, 2013. - С. 200. - ISBN 978-5-7444-3124-2
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Zhandun V. S., Zinenko V. I.
Заглавие : First-principles calculations of ferroelectric properties in AA`BB`O6 double perovskites with different types of cation ordering
Место публикации : Phys. status solidi B. - 2013. - Vol. 250, Is. 9. - P.1888-1897. - ISSN 0370-1972, DOI 10.1002/pssb.201349084
Ключевые слова (''Своб.индексиров.''): density functional theory--double perovskites--ferroelectrics--polarization
Аннотация: First-principles calculations of lattice dynamics and polarization properties have been performed for double perovskite ABiBNbO6 (A - alkali metal Na, Rb, and B - trivalent metal Sc, Lu). Three possible types of A- and B-site cation ordering are studied: layer and columnar ordering of A-site cations with rocksalt ordering of B-site cations, and layer ordering of both cations. The ground state of all compounds is polar with a large value of polarization for all types of cation ordering. For some compounds we obtain spontaneous polarization of 0.7-1.0Cm-2 that is twice the BaTiO3 value. For RbBiScNbO6 the lowest-energy state has layer ordering of both A- and B-site cations, which is rare for compounds with double-perovskite structure.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kolovsky A. R., Mantica G.
Заглавие : Cyclotron-Bloch dynamics of a quantum particle in a two-dimensional lattice
Место публикации : Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. - 2011. - Vol. 83, Is. 4. - Ст.041123. - ISSN 1539-3755, DOI 10.1103/PhysRevE.83.041123
Ключевые слова (''Своб.индексиров.''): critical value--directed transport--drift velocities--electric and magnetic fields--electric field magnitude--electric field vectors--free space--initial conditions--lattice plane--quantum dynamics--quantum particles--quantum wave packets--two dimensional square lattice--two-dimensional lattices--electric fields--magnetic fields--quantum theory--vector spaces--two dimensional
Аннотация: This paper studies the quantum dynamics of a charged particle in a two-dimensional square lattice, under the influence of electric and magnetic fields, the former being aligned with one of the lattice axes and the latter perpendicular to the lattice plane. While in free space these dynamics consist of uniform motions in the direction orthogonal to the electric field vector, we find that, in a lattice, this directed drift takes place only for specific initial conditions and for electric field magnitudes smaller than a critical value. Otherwise, the quantum wave packet spreads ballistically in both directions orthogonal to the electric field. We quantify this ballistic spreading and identify the subspace of initial conditions ensuring directed transport with the drift velocity. We also describe the effect of disorder in the system. В© 2011 American Physical Society.
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9.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Korshunov M. M., Nikolaev S. N., Shneyder E. I.
Заглавие : Quantum phase transitions and superconductivity in single- and two-layer cuprates in the multiband theory of Hubbard fermions
Коллективы : Ettore Majorana Foundation, Centre for Scientific Culture, Rome International Center for Materials Science, International School of Solid State Physics, "Phase separation and Superstripes in High Temperature Superconductors and Related Materials", Int. Conf. (55; 2012 ; July ; 11-17; Erice (Sicily), Italy)
Место публикации : International conferences «Phase separation and Superstripes in High Temperature Superconductors and Related Materials (Superstripes-2012)». - 2012. - P.128
Аннотация: We consider the doping dependence of the normal and superconducting properties of LaSrCuO and YBaCuO in the low energy effective model based on the ab initio LDA+GTB calculations. With doping we have found a concentration region with electronic instability of the uniform state. We have shown that two quantum phase transitions (QPT) of the Lifshitz type correspond well to the experimental phase diagram. For superconducting state we have considered both magnetic and phonon mechanisms of pairing.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu.S., Solovyov L. A., Dudnikov V. A., Fedorov A. S., Kuzubov A. A., Kazak N. V., Voronov V. N., Vereshchagin S. N., Shishkina N. N., Perov N. S., Lamonova K. V., Babkin R.Yu., Pashkevich Yu.G., Anshits A. G., Ovchinnikov S. G.
Заглавие : Structural properties and high-temperature spin and electronic transitions in GdCoO3: Experiment and theory
Место публикации : Phys. Rev. B: American Physical Society, 2013. - Vol. 88, Is. 23. - Ст.235105. - P. - ISSN 1098-0121, DOI 10.1103/PhysRevB.88.235105
Аннотация: We have investigated the x-ray diffraction (XRD) structure, magnetic susceptibility, and heat capacity of GdCoO3 in a wide temperature range. A model of phase separation of the low-spin (LS) and high-spin (HS) states has been proposed based on the analysis of XRD peak shape anomalies in the temperature range 200-800 K. From magnetic measurements we separated the HS Co3+ contribution and fitted it with the temperature-dependent spin gap. We found a smooth LS-HS crossover at T=800 K. The possible contribution of the intermediate spin (IS) state to the thermodynamics is excluded by the calculation IS-LS excitation energy within the modified crystal-field approach. In the two-phase model, with HS/LS probabilities calculated from the found spin gap and the LS and HS volumes calculated by the DFT-GGA method, we were able to reproduce the temperature dependence of the unit-cell volume and thermal expansion. Thus, we conclude that in GdCoO3 the main mechanism of the lattice expansion is not the conventional lattice anharmonicity, but the HS/LS fluctuations. The electronic structure has been calculated by the LDA+GTB method. At zero temperature, we have obtained the charge-transfer insulator with the charge gap Eg=0.5 eV. The thermal population of the HS term results in the in-gap band formation inside the insulator gap and smooth insulator-metal transition at TIMT=780 K. Heat-capacity measurements revealed a smooth maximum near the TIMT. © 2013 American Physical Society.
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