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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : SANDALOV I. S., YUSHKOVA E. Y.
Заглавие : ANTI-FERROMAGNETIC TRANSITION THEORY IN URANIUM MONOPNICTIDES
Место публикации : Fiz. Tverd. Tela: MEZHDUNARODNAYA KNIGA, 1983. - Vol. 25, Is. 11. - P3437-3439. - ISSN 0367-3294
Примечания : Cited References: 4
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sandalov I. S., Filatjev V. I.
Заглавие : Coulomb interaction and lattice theory of strongly correlated systems .1. mean field-equations for equilibrium positions of ions and band-structure
Место публикации : Physica B. - 1990. - Vol. 162, Is. 2. - P.139-160. - ISSN 0921-4526, DOI 10.1016/0921-4526(90)90046-W
Примечания : Cited References: 31
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sandalov I. S., Filatjev V. I.
Заглавие : Coulomb interaction and lattice theory of strongly correlated systems .2. dynamic matrix, electron-boson and effective electron-electron interactions
Место публикации : Physica B. - 1990. - Vol. 162, Is. 2. - P.161-171. - ISSN 0921-4526, DOI 10.1016/0921-4526(90)90047-X
Примечания : Cited References: 13
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sandalov I. S., Zamkova N. G., Zhandun V. S., Tarasov I. A., Varnakov S. N., Yakovlev I. A., Solovyov L. A., Ovchinnikov S. G.
Заглавие : Effect of electron correlations on the Fe3Si and α- FeSi2 band structure and optical properties
Коллективы : Russian Fund of Basic Research [14002-00186, 13-02-01265]; President of Russia Grants [2886.2014.2, 924.2014.2]
Место публикации : Phys. Rev. B: American Physical Society, 2015. - Vol. 92, Is. 20. - Ст.205129. - ISSN 1098-0121, DOI 10.1103/PhysRevB.92.205129. - ISSN 1550-235X(eISSN)
Примечания : Cited References:69. - The theoretical part of this work was supported by Russian Fund of Basic Research, Grant No. 14002-00186 and the President of Russia Grants No. 2886.2014.2 and No. 924.2014.2 for support of Leading Scientific School. The calculations were performed with the computer resources of NRC "Kurchatov Institute" (ui2.computing.kiae.ru). The experimental work was supported by Russian Fund of Basic Research, Grant No. 13-02-01265. I.S. thanks A. Ruban for useful discussion.
Предметные рубрики: DENSITY-FUNCTIONAL THEORY
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE METHOD
BASIS-SET
METALS
ABSORPTION
EMISSION
SURFACES
ALLOYS
LAYERS
Аннотация: We use the Vienna ab initio simulation package (vasp) for evaluation of the quasiparticle spectra and their spectral weights within Hedin's GW approximation (GWA) for Fe3Si and α-FeSi2 within the non-self-consistent one-shot approximation G0W0 and self-consistent scGWA with the vertex corrections in the particle-hole channel, taken in the form of two-point kernel. As input for G0W0, the band structure and wave functions evaluated within the generalized gradient corrected local-density approximation to density functional theory (GGA) have been used. The spectral weights of quasiparticles in these compounds deviate from unity everywhere and show nonmonotonic behavior in those parts of bands where the delocalized states contribute to their formation. The G0W0 and scGWA spectral weights are the same within 2%–5%. The scGWA shows a general tendency to return G0W0 bands to their GGA positions for the delocalized states, while in the flat bands it flattens even more. Variable angle spectroscopic ellipsometry measurements at T=296 K on grown single-crystalline ∼50-nm-thick films of Fe3Si on n-Si(111) wafer have been performed in the interval of energies ω∼(1.3–5) eV. The comparison of G0W0 and scGW theory with experimental real and imaginary parts of permittivity, refractive index, extinction and absorption coefficients, reflectivity, and electron energy loss function shows that both G0W0 and scGW qualitatively describe experiment correctly, the position of the low-energy peaks is described better by the scGW theory, however, its detailed structure is not observed in the experimental curves. We suggest that the angle-resolved photoemission spectroscopy experiments, which can reveal the fine details of the quasiparticle band structure and spectral weights, could help to understand (i) if the scGWA with this type of vertex correction is sufficiently good for description of these iron silicides and, possibly, (ii) why some features of calculated permittivity are not seen in optical experiments.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Zhandun V. S., Ovchinnikov S. G., Sandalov I. S.
Заглавие : Effect of local environment on moment formation in iron silicides
Место публикации : J. Alloys Compd.: Elsevier, 2017. - Vol. 695. - P.1213-1222. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2016.10.248
Примечания : Cited References: 40. - This work was supported by the Grants of Russian Foundation for Basic Research № 14-02-00186, № 17-02-00161 and by the Grants of Russian Foundation for Basic Research and Government of Krasnoyarsk Territory № 16-42-243035, 16-42-242036. The authors would like to thank AS Shinkorenko for the technical support.
Ключевые слова (''Своб.индексиров.''): ab initio calculations--iron silicides--magnetic properties--multiorbital model--spin-crossover
Аннотация: he effect of local environment on the formation of magnetic moments on Fe atoms in iron silicides is studied by combination of ab initio and model calculations. The suggested model includes all Fe d- and Si p-orbitals, intra-atomic Coulomb interactions, inter-atomic Fe-Fe exchange and hopping of electrons to nearest and next nearest neighboring atoms. The parameters of the model are found from the requirement that self-consistent moments on atoms and density of states found from ab initio and model calculations within the Hartree-Fock approximation are close to each other as much as possible. Contrary to the commonly accepted statement that in the ordered Fe3Si and FexSi1−x alloys an increase of the Si concentration within nearest environment of Fe atoms results in a decrease of Fe magnetic moment we find that a crucial role in the formation of magnetic moments is played by the second coordination sphere of Fe atoms. Particularly, the Fe atoms have higher magnetic moments in amorphous films compared to the epitaxial ones due to decreasing the number of iron-atoms in the next nearest environment. Both our model and ab initio calculations confirm existence of known spin crossover with pressure and predict second crossover at higher pressure.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : SANDALOV I. S., YERUKHIMOV M. S.
Заглавие : EFFECT OF MIXING THE STATES OF CONDUCTIVITY ELECTRONS AND IMPURITY D(F) IONS ON ELECTRIC-CONDUCTIVITY
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz.: MEZHDUNARODNAYA KNIGA, 1982. - Vol. 82, Is. 1. - P246-253. - ISSN 0044-4510
Примечания : Cited References: 17
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sandalov I. S., Johansson B.
Заглавие : Effects of a low-energy local mode on the eliashberg function
Разночтения заглавия :авие SCOPUS: Effects of a low-energy local mode on the Eliashberg function
Место публикации : Phys. Rev. B. - 1994. - Vol. 49, Is. 17. - P.12105-12114. - ISSN 0163-1829, DOI 10.1103/PhysRevB.49.12105
Примечания : Cited References: 13
Предметные рубрики: K3C60
HEAT
Аннотация: Anharmonic contributions to the Eliashberg function due to a low-energy local boson mode of finite width are considered for a harmonic metal. Excitation of the multiple-frequency modes leads to redistribution of spectral weight in the generalized Eliashberg function from the low- to the high-energy region, which reduces the electron-boson coupling. This is seen in the calculated temperature dependence of the interaction constants lambda(n) entering the Eliashberg equations. The rapid decrease with temperature of lambda(n)0 can be used to derive a simple analytical expression, which reproduces almost exactly the temperature dependence, lambda(n)0(T), calculated from the exact expression. Normal-state properties of alkaline-doped C60 are investigated within the two-peak model (omega0 approximately 50 K and omega1 approximately 900 K) for the possibility to extract information about the local modes themselves and their coupling to the conduction electrons. The electronic specific heat shows pecularities only in the case of an extremely strong coupling. Due to the low-energy peak the temperature dependence of the electrical resistivity deviates more and more from the linear law with increasing adiabaticity parameter A = (m/M)(epsilon(F)/Homega0BAR). This leads, however, to a negative-curvature dependence. The experimental curve for K3C60 has a positive curvature and can be fitted only in the case of a very strong coupling of electrons to the high-energy mode. The thermal electronic conductivity displays a minimum at T approximately Homega0BAR/k(B). The curvature as a function of temperature is determined by the magnitude of A.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fransson J., Eriksson O., Sandalov I. S.
Заглавие : Effects of nonorthogonality in the time-dependent current through tunnel junctions
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2001. - Vol. 64, Is. 15. - Ст.153403. - ISSN 0163-1829, DOI 10.1103/PhysRevB.64.153403
Примечания : Cited References: 20
Предметные рубрики: LOCAL OXIDATION
TRANSPORT
DEVICES
Аннотация: A theoretical technique which allows one to include contributions from nonorthogonality of the electron states in the leads connected to a tunneling junction is derived. The theory is applied to a single-barrier, tunneling structure and a simple expression for the time-dependent tunneling current is derived showing explicit dependence of the overlap. The overlap proves to be necessary for a better quantitative description of the tunneling current, and our theory reproduces experimental results substantially better compared to standard approaches.
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9.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Zhandun V. S., Zamkova N. G., Maximova O. A., Lyashchenko S. A., Vysotin M. A., Sandalov I. S.
Заглавие : Electronic structure and magnetic properties of iron silicides
Коллективы : Asian School-Conference on Physics and Technology of Nanostructured Materials, Азиатская школа-конференция по физике и технологии наноструктурированных материалов
Место публикации : The Fifth Asian School-Conference on Physics and Technology of Nanostructured Materials: Proceedings. - VLadivostok: Dalnauka Publishing, 2020. - Ст.PS.03.04i. - P.26. - ISBN 978-5-8044-1698-1
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Sandalov I. S.
Заглавие : Existence of the fermi-liquid behavior in the theory of intermediate valence
Разночтения заглавия :us: Existence of the Fermi-liquid behaviour in the theory of intermediate valence
Место публикации : Solid State Commun. - 1983. - Vol. 47, Is. 5. - P.367-369. - ISSN 0038-1098, DOI 10.1016/0038-1098(83)90920-1
Примечания : Cited References: 9
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