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SANDALOV, I. S.
ANTI-FERROMAGNETIC TRANSITION THEORY IN URANIUM MONOPNICTIDES / I. S. SANDALOV, E. Y. YUSHKOVA // Fiz. Tverd. Tela. - 1983. - Vol. 25, Is. 11. - P. 3437-3439. - Cited References: 4 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

WOS
Доп.точки доступа:
YUSHKOVA, E. Y.
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Sandalov, I. S.
Coulomb interaction and lattice theory of strongly correlated systems .1. mean field-equations for equilibrium positions of ions and band-structure / I. S. Sandalov, V. I. Filatjev // Physica B. - 1990. - Vol. 162, Is. 2. - P. 139-160, DOI 10.1016/0921-4526(90)90046-W. - Cited References: 31 . - ISSN 0921-4526

РУБ Physics, Condensed Matter

WOS
Доп.точки доступа:
Filatjev, V. I.; Сандалов, Игорь Семёнович
}
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Sandalov, I. S.
Coulomb interaction and lattice theory of strongly correlated systems .2. dynamic matrix, electron-boson and effective electron-electron interactions / I. S. Sandalov, V. I. Filatjev // Physica B. - 1990. - Vol. 162, Is. 2. - P. 161-171, DOI 10.1016/0921-4526(90)90047-X. - Cited References: 13 . - ISSN 0921-4526

РУБ Physics, Condensed Matter

WOS
Доп.точки доступа:
Filatjev, V. I.; Сандалов, Игорь Семёнович
}
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    Effect of electron correlations on the Fe3Si and α- FeSi2 band structure and optical properties / I. Sandalov [et al.] // Phys. Rev. B. - 2015. - Vol. 92, Is. 20. - Ст. 205129, DOI 10.1103/PhysRevB.92.205129. - 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. . - ISSN 1098-0121. - ISSN 1550-235X
   Перевод заглавия: Влияние электронных корреляций на зонную структуру и оптические свойства Fe3Si и alpha-FeSi2

РУБ Physics, Condensed Matter
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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Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
Siberian Aerosp Univ, Inst Space Investigat & High Technol, Krasnoyarsk 660037, Russia.
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Sandalov, I. S.; Сандалов, Игорь Семёнович; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Tarasov, I. A.; Тарасов, Иван Анатольевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Yakovlev, I. A.; Яковлев, Иван Александрович; Solovyov, L. A.; Соловьев, Леонид Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Russian Fund of Basic Research [14002-00186, 13-02-01265]; President of Russia Grants [2886.2014.2, 924.2014.2]
}
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    Effect of local environment on moment formation in iron silicides / N. G. Zamkova [et al.] // J. Alloys Compd. - 2017. - Vol. 695. - P. 1213-1222, DOI 10.1016/j.jallcom.2016.10.248. - 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. . - ISSN 0925-8388
   Перевод заглавия: Влияние локального окружения на формирование магнитного момента в силицидах железа
Кл.слова (ненормированные):
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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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50, Krasnoyarsk, Russian Federation
National Research Nuclear University MEPhI, Kashurskoe sh. 31, Moscow, Russian Federation

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Sandalov, I. S.; Сандалов, Игорь Семёнович
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SANDALOV, I. S.
EFFECT OF MIXING THE STATES OF CONDUCTIVITY ELECTRONS AND IMPURITY D(F) IONS ON ELECTRIC-CONDUCTIVITY / I. S. SANDALOV, M. S. YERUKHIMOV // Zhurnal Eksperimentalnoi Teor. Fiz. - 1982. - Vol. 82, Is. 1. - P. 246-253. - Cited References: 17 . - ISSN 0044-4510

РУБ Physics, Multidisciplinary

WOS
Доп.точки доступа:
YERUKHIMOV, M. S.
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Sandalov, I. S.
Effects of a low-energy local mode on the eliashberg function / I. S. Sandalov, B. Johansson // Phys. Rev. B. - 1994. - Vol. 49, Is. 17. - P. 12105-12114, DOI 10.1103/PhysRevB.49.12105. - Cited References: 13 . - ISSN 0163-1829

РУБ Physics, Condensed Matter
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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Держатели документа:
LV KIRENSKII INST PHYS,KRASNOYARSK 660036,RUSSIA
ИФ СО РАН
Department of Physics, Uppsala University, Box 530, S-75121 Uppsala, Sweden
Kirensky Institute of Physics, Russian Academy of Science, 660036 Krasnoyarsk, Russian Federation

Доп.точки доступа:
Johansson, B.; Сандалов, Игорь Семёнович
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Fransson, J.
Effects of nonorthogonality in the time-dependent current through tunnel junctions / J. . Fransson, O. . Eriksson, I. . Sandalov // Phys. Rev. B. - 2001. - Vol. 64, Is. 15. - Ст. 153403, DOI 10.1103/PhysRevB.64.153403. - Cited References: 20 . - ISSN 0163-1829

РУБ Physics, Condensed Matter
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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Держатели документа:
Univ Uppsala, Condensed Matter Theory Grp, S-75121 Uppsala, Sweden
Linkoping Univ, Dept Phys, S-58183 Linkoping, Sweden
RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Eriksson, O.; Sandalov, I. S.; Сандалов, Игорь Семёнович
}
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Electronic structure and magnetic properties of iron silicides / S. G. Ovchinnikov, V. S. Zhandun, N. G. Zamkova [et al.] // 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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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Maximova, O. A.; Максимова, Ольга Александровна; Lyashchenko, S. A.; Лященко, Сергей Александрович; Vysotin, M. A.; Высотин, Максим Александрович; Sandalov, I. S.; Сандалов, Игорь Семёнович; Asian School-Conference on Physics and Technology of Nanostructured Materials(5 ; 2020 ; 30 Jul - 3 Aug ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(5 ; 2013 ; 30 июля - 3 авг. ; Владивосток)
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10.

Ovchinnikov, S. G.
Existence of the fermi-liquid behavior in the theory of intermediate valence / S. G. Ovchinnikov, I. S. Sandalov // Solid State Commun. - 1983. - Vol. 47, Is. 5. - P. 367-369, DOI 10.1016/0038-1098(83)90920-1. - Cited References: 9 . - ISSN 0038-1098

РУБ Physics, Condensed Matter

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Держатели документа:
Institute of Physics, Siberian Department, the USSR Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
ИФ СО РАН
Доп.точки доступа:
Sandalov, I. S.; Сандалов, Игорь Семёнович; Овчинников, Сергей Геннадьевич
}
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