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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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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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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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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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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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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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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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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : SANDALOV I. S., RICHTER M.
Заглавие : FLUX PHASE, NEEL ANTIFERROMAGNETISM, AND SUPERCONDUCTIVITY IN THE T-J MODEL
Разночтения заглавия :авие SCOPUS: Flux phase, Neel antiferromagnetism, and superconductivity in the t-J model
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 1994. - Vol. 50, Is. 17. - P12855-12865. - ISSN 0163-1829, DOI 10.1103/PhysRevB.50.12855
Примечания : Cited References: 27
Предметные рубрики: HUBBARD-MODEL
INSTABILITY
ELECTRONS
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sandalov I. S., Padyukov, Leonid
Заглавие : Genetic vectors as a tool in association studies: Definitions and application for study of rheumatoid arthritis
Коллективы : Swedish Research Council, Vinnova (COMBINE Grant); Innovative Medicines Initiative Joint Undertaking [115142-2 BTCURE]
Место публикации : Int. J. Genomics. - 2015. - Ст.256818. - ISSN 2314, DOI 10.1155/2015/256818. - ISSN 23144378(eISSN)
Примечания : Cited References:10. - This study was supported by the Swedish Research Council, Vinnova (COMBINE Grant), and Innovative Medicines Initiative Joint Undertaking, 115142-2 BTCURE. The authors would like to thank Janet Ahlberg for help with English editing of the paper.
Предметные рубрики: FAMILIES
Аннотация: To identify putative relations between different genetic factors in the human genome in the development of common complex disease, we mapped the genetic data to an ensemble of spin chains and analysed the data as a quantum system. Each SNP is considered as a spin with three states corresponding to possible genotypes. The combined genotype represents a multispin state, described by the product of individual-spin states. Each person is characterized by a single genetic vector (GV) and individuals with identical GVs comprise the GV group. This consolidation of genotypes into GVs provides integration of multiple genetic variants for a single statistical test and excludes ambiguity of biological interpretation known for allele and haplotype associations. We analyzed two independent cohorts, with 2633 rheumatoid arthritis cases and 2108 healthy controls, and data for 6 SNPs from the HTR2A locus plus shared epitope allele. We found that GVs based on selected markers are highly informative and overlap for 98.3% of the healthy population between two cohorts. Interestingly, some of the GV groups contain either only controls or only cases, thus demonstrating extreme susceptibility or protection features. By using this new approach we confirmed previously detected univariate associations and demonstrated the most efficient selection of SNPs for combined analyses for functional studies.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zamkova N. G., Korzhavyi, Pavel, Sandalov I. S.
Заглавие : Inducing magnetism in non-magnetic α-FeSi2 by distortions and/or intercalations
Коллективы : Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science [17-42-240212, 18-42-243019]
Место публикации : Phys. Chem. Chem. Phys. - 2019. - Vol. 21, Is. 25. - P.13835-13846. - ISSN 1463-9076, DOI 10.1039/c9cp02361e. - ISSN 1463-9084(eISSN)
Примечания : Cited References: 27. - The reported study was funded by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects No 17-42-240212: "Quantum-mechanical simulation of the physical properties of correlated electron materials to improve their functional characteristics" and No 18-42-243019: "First-principles studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions".
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
WAVE
FeSi2
Аннотация: By means of hybrid ab initio + model approach we show that the lattice distortions in non-magnetic α-FeSi2 can induce a magnetic state. However, we find that the distortions required for the appearance of magnetism in non-magnetic α-FeSi2 are too large to be achieved by experimental fabrication of thin films. For this reason we suggest a novel way to introduce magnetism in α-FeSi2 using “chemical pressure” that is, intercalating the α-FeSi2 films by light elements. Theoretical study of the distortions resulting from intercalation reveals that the most efficient intercalants for formation of magnetism and a high spin polarization are lithium, phosphorus and oxygen. Investigation of the dependency of the magnetic moments and spin polarisation on the intercalation atoms concentration shows that the spin polarization remains high even at small concentrations of intercalated atoms, which is extremely important for modern silicate technology.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zamkova N. G., Korzhavyi P., Sandalov I. S.
Заглавие : Lattice distortions and/or intercalation as ways to induce magnetism in a-FeSi2: a theoretical study
Место публикации : ArXiv. - 2018. - Ст.1805.06189
Примечания : Cited References: 20. - This work was supported by the Russian Fund for Basic Research, Government of Krasnoyarsk Territory and Krasnoyarsk Region Science and Technology Support Fund to the research Projects No 17-42-240212 and No 18-42-243019.
Аннотация: The possibilities to induce magnetism in the non-magnetic bulk α-FeSi2 by means of lattice distortions or intercalation with metal or non-metal ions of light elements is investigated theoretically by combined ab initio and model methods. We find that the distortions indeed can induce the formation of magnetic moment on iron atoms in certain local environments; however, the required strength of the distortions often is too large to be achieved in experiments. For this reason we suggest using "chemical pressure" that is, intercalating the α-FeSi2 films by light elements. We find that some of such variants have promising characteristic.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sandalov I. S., Richter M.
Заглавие : Local gauge invariance versus slave boson-like representations in systems with strongly correlated electrons
Место публикации : Phys. Scr.: ROYAL SWEDISH ACAD SCIENCES, 1996. - Vol. 54, Is. 4. - P410-416. - ISSN 0281-1847, DOI 10.1088/0031-8949/54/4/020
Примечания : Cited References: 38
Предметные рубрики: T-J MODEL
VALENCE-BOND STATE
DIAGRAM TECHNIQUE
ANDERSON MODEL
HUBBARD MODEL
SUPERCONDUCTIVITY
LIMIT
PHASE
Аннотация: The flux phase solutions in the t-J model the gauge theories with Chern-Simons term, promising new exciting physics, are so far obtained only within slave-boson (or fermion) approaches, where local gauge invariance is not taken into account exactly. We inspect the possibility to do this, mainly, in the example of the t-J model The analysis of different parametrizations in the functional representation shows that (i) calculations which take into account constraints for the number of on-site-available states are describing quasiparticles in terms of the wrong local statistics, and contain gauge non-invariant objects; (ii) application of the projection technique in the slave-boson(fermion) representation reproduces the correct statistics, and is exactly equivalent to the conventional diagram technique for Hubbard operators. In the language of slave bosons this means that the Fourier transformation leading to Bloch states should be made only after accounting constraints in the measure of functional integral.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Sandalov I. S.
Заглавие : On nonhomogeneous states in a 2-dimensional hubbard-model
Место публикации : Physica C. - 1990. - Vol. 166, Is. 1-2. - P.197-199. - ISSN 0921-4534, DOI 10.1016/0921-4534(90)90573-W
Примечания : Cited References: 12
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fransson J., Eriksson O., Johansson B., Sandalov I. S.
Заглавие : On the non-orthogonality problem in the description of quantum devices
Коллективы : International Conference on Nonequilibrium Carrier Dynamics in Semiconductors
Место публикации : Physica B/ International Conference on Nonequilibrium Carrier Dynamics in Semiconductors (11 ; 1999 ; July ; 19-23 ; Kyoto, Japan). - 1999. - Vol. 272, Is. 1-4. - P.28-30. - ISSN 0921-4526, DOI 10.1016/S0921-4526(99)00343-9
Примечания : Cited References: 8
Предметные рубрики:
Ключевые слова (''Своб.индексиров.''): non-orthogonality--current--tunneling--correlation methods--electric contacts--electric currents--electron energy levels--electron tunneling--equations of motion--green's function--mathematical operators--matrix algebra--hubbard operators--potential barriers--tunneling currents--semiconductor quantum dots
Аннотация: An approach which allows to include the corrections from non-orthogonality of electron states in contacts and quantum dots is developed. Comparison of the energy levels and charge distributions of electrons in 1D quantum dot (QD) in equilibrium, obtained within orthogonal (OR) and non-orthogonal representations (NOR), with the exact ones shows that the NOR provides a considerable improvement, for levels below the top of barrier. The approach is extended to non-equilibrium states. A derivation of the tunneling current through a single potential barrier is performed using equations of motion for correlation functions. A formula for transient current derived by means of the diagram technique for Hubbard operators is given for the problem of QD with strongly correlated electrons interacting with electrons in contacts. The non-orthogonality renormalizes the tunneling matrix elements and spectral weights of Green functions. (C) 1999 Elsevier Science B.V. All rights reserved.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : SANDALOV I. S., HJORTSTAM O., JOHANSSON B., ERIKSSON O.
Заглавие : ORBITAL POLARIZATION IN METALLIC F-ELECTRON SYSTEMS
Разночтения заглавия :авие SCOPUS: Orbital polarization in metallic f-electron systems
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 1995. - Vol. 51, Is. 20. - P13987-14000. - ISSN 0163-1829, DOI 10.1103/PhysRevB.51.13987
Примечания : Cited References: 28
Предметные рубрики: MOTT INSULATORS
VOLUME COLLAPSE
CERIUM
LOCALIZATION
TRANSITION
PHASES
MODEL
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzmin E. V., Ovchinnikov S. G., Sandalov I. S.
Заглавие : Paramagnetic-susceptibility and phonon instability of metal with localized and collectivized electron state mixing
Место публикации : Fiz. Tverd. Tela. - 1980. - Vol. 22, Is. 2. - P.424-430. - ISSN 0367-3294
Примечания : Cited References: 22
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sandalov I. S.
Заглавие : Periodical anderson model and electron-phonon interaction
Коллективы : International Conference on the Physics of Transition Metals
Место публикации : Int. J. Mod. Phys. B. - 1993. - Vol. 7, Is. 1-3. - P.62-66. - ISSN 0217-9792, DOI 10.1142/S0217979293000160
Примечания : Cited References: 8
Предметные рубрики: STRONGLY CORRELATED SYSTEMS
COULOMB INTERACTION
LATTICE THEORY
Аннотация: The periodical Anderson model (PAM) is microscopically derived. It is shown that the PAM is a mean field theory for the electric potential. The mixing interaction (MI) consists of single- and two- particle contributions. The first is proportional to the overlap integral of localized and band wave functions and vanishes when band energies are on the Fermi surface. It leads to the absence of heavy-fermion effects in the theories based on the PAM with only this mixing term. Using the orthogonal basis this term vanishes only at zero temperature. Applicability of the Luttinger theorem to systems with strongly-correlated electrons (SSCE) is discussed. The phonon dynamic matrix and electron-phonon interaction (EPI) for SSCE are microscopically derived.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Gavrichkov V. A., Sandalov I. S., Ovchinnikov S. G.
Заглавие : Proximity of Ferromagnetic Nickel to Paramagnetic Instability
Коллективы : Russian Foundation for Basic Research [16-02-00273]
Место публикации : JETP Letters. - 2019. - Vol. 109, Is. 4. - P.276-279. - ISSN 0021-3640, DOI 10.1134/S0021364019040131. - ISSN 1090-6487(eISSN)
Примечания : Cited References: 21. - This work was supported by the Russian Foundation for Basic Research (project no. 16-02-00273).
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
WAVE
Аннотация: The phase diagram of Ni in the space of the parameters has been studied within the Kanamori model with the parameters determined from comparison with ab initio calculations for ferromagnetic Ni. The proximity of Ni to the boundary of the transition to a paramagnetic state has been found.
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20.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sandalov I. S., Zamkova N. G., Zhandun V. S., Ovchinnikov S. G.
Заглавие : Quasiparticle band structure, spectral weights and degree of d-electron localization in iron silicides
Коллективы : International seminar on ferroelastic physics, Международный семинар по физике сегнетоэластиков, Российская академия наук, Воронежский государственный технический университет
Место публикации : The Eighth Int. Sem. on Ferroelastic Phys.: book of abstracts. - 2015. - P.362

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