Библиотека института физики им. Л.В. Киренского СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Belousov A. L., Patrusheva T. N., Karacharov A. A., Ivanenko A. A., Kirik S. D., Khol'kin A. I.
Заглавие : Amorphous and Crystalline Nickel Oxide Films Obtained by the Extraction-Pyrolysis Method for Electrochromic Cells
Коллективы : program "Research and Development for the Priority Areas of the Russian Science-and-Technology Sector for 2014-2020" [075-15-2019-1843]; [RFMEFI60719X0307]
Место публикации : Theor. Found. Chem. Eng. - 2020. - Vol. 54, Is. 4. - P.699-705. - ISSN 0040-5795, DOI 10.1134/S0040579520040041. - ISSN 1608-3431(eISSN)
Примечания : Cited References: 8. - This work was performed as part of the program "Research and Development for the Priority Areas of the Russian Science-and-Technology Sector for 2014-2020"; Grant Agreement no. 075-15-2019-1843; the Project Unique Identifier RFMEFI60719X0307
Предметные рубрики: NIO THIN-FILMS
Аннотация: This paper reports studies of thin films of nickel oxide obtained by the extraction–pyrolysis method on glass and quartz substrates at temperatures of 380–600°C. The films have been characterized by atomic force microscopy and X-ray diffraction. It is shown that amorphous and crystalline nickel oxide films are formed on the glass. The grain size depends on the annealing temperature, while increased annealing temperatures lead to recrystallization and a decrease in the grain size in NiO films from 130 to 35 nm.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Stolyar S. V., Bayukov O. A., Chekanova L. A., Gerasimova Y. V., Sokolov A. Е., Iskhakov R. S., Yaroslavtsev R. N., Volochaev M. N., Artemyeva A. S., Cheremiskina E. V., Knyazev Yu. V.
Заглавие : Anisometric iron oxide-based nanoparticles and sols based on them: Preparation and properties
Место публикации : J. Supercond. Novel Magn. - 2019. - Vol. 32, Is. 4. - P.971–975. - ISSN 15571939 (ISSN) , DOI 10.1007/s10948-018-4784-7
Примечания : Cited References: 18. - The reported study was carried out with the financial support of the Russian Foundation for Fundamental Research, the Government of the Krasnoyarsk Territory, and the Krasnoyarsk Territory Fund for Support of Scientific and Technical Activity in the framework of scientific Projects No. 18-43-243003, No. 17-42-240080 and No. 17-43-240527. The work is supported by the Special Program of the Ministry of Education and Science of the Russian Federation for the Siberian Federal University.
Ключевые слова (''Своб.индексиров.''): nanoparticles and nanorods--chemical preparation--superparamagnetism
Аннотация: We have synthesized magnetic powders of the magnetite-maghemite series by the chemical reaction of the FeSO4 iron salt and the natural arabinogalactan polysaccharide. These particles with a high magnetization value (∼ 300 Gs) represent a mixture of spherical particles and nanorods. Particles of a spherical shape (diameter of ∼ 5–6 nm) show a superparamagnetic behavior at room temperature, while rods with a diameter of ∼ 5 nm and a length of 30 nm are magnetic. We have prepared sol samples based on the nanoparticle aqueous solution of arabinogalactan. Our results on the magnetism of the circular dichroism (MCD) on sol are consistent with the of Mössbauer spectroscopy data.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aplesnin S. S., Moskvin A. I.
Заглавие : Simulation of the magnetic properties of manganese oxide Pb3Mn7O15
Разночтения заглавия :авие SCOPUS: Simulation of the magnetic properties of manganese oxide Pb 3Mn7O15
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2009. - Vol. 51, Is. 4. - P767-769. - ISSN 1063-7834, DOI 10.1134/S1063783409040209
Примечания : Cited References: 7
Аннотация: The magnetic susceptibility, heat capacity, and spin-spin correlation functions of manganese oxide Pb3Mn7O15 are calculated by the Monte Carlo method. Two critical temperatures are determined: T (1) a parts per thousand 20 K, above which a modulated structure along the hexagonal axis is formed, and T (2) a parts per thousand 70 K, at which the long-range magnetic order disappears. The antiferromagnetic exchange interaction constant in a hexagonal plane is estimated to be J (1) similar to 7 K, and the antiferromagnetic and ferromagnetic exchange interaction constants between hexagonal planes are calculated to be J (2) similar to 3 K and K similar to 50 K, respectively.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Ovchinnikov S. G., Gavrichkov V. A., Nekrasov I. A., Pchelkina Z. V., Anisimov V. I.
Заглавие : Application of the new LDA plus GTB method for the band structure calculation of n-type cuprates
Разночтения заглавия :авие SCOPUS: Application of the new LDA+GTB method for the band structure calculation of n-type cuprates
Место публикации : Physica B: ELSEVIER SCIENCE BV, 2006. - Vol. 378-80: International Conference on Strongly Correlated Electron Systems (SECES 05) (JUL 26-30, 2005, Vienna, AUSTRIA). - P459-460. - ISSN 0921-4526, DOI 10.1016/j.physb.2006.01.340
Примечания : Cited References: 11
Предметные рубрики: SUPERCONDUCTIVITY
PARAMETERS
DENSITY
Ключевые слова (''Своб.индексиров.''): strongly correlated electron systems--superconductivity--n-type cuprates--n-type cuprates--strongly correlated electron systems--superconductivity--electronic structure--hamiltonians--mathematical models--oxide superconductors--perturbation techniques--intercluster hopping--n-type cuprates--strongly correlated electron systems--band structure
Аннотация: A novel hybrid scheme is proposed and applied for band structure calculations of undoped n-type cuprate Nd2CuO4. The ab initio LDA calculation is used to obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the electronic structure within this model is calculated by the generalized tight-binding (GTB) method, that combines the exact diagonalization of the model Hamiltonian for a small cluster with perturbation treatment of the intercluster hopping and interactions. For Nd2CuO4, this scheme results in charge transfer insulator with value of the gap and band dispersion in agreement to the experimental data. (c) 2006 Elsevier B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Voronin A. S., Masiygin A. N., Molokeev M. S., Khartov S. V.
Заглавие : Atomic layer deposition ZnO on porous Al2O3 nanofibers film
Коллективы : International Scientific Conference on Applied Physics, Information Technologies and Engineering
Место публикации : J. Phys. Conf. Ser. - 2020. - Vol. 1679, Is. 2. - Ст.022072. - DOI 10.1088/1742-6596/1679/2/022072
Примечания : Cited References: 10. - Studies by scanning electron microscopy and X-ray powder diffraction were performed on the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center «Krasnoyarsk Science Center SB RAS». The transmission electron microscopy investigations were conducted in the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation
Аннотация: The paper presents the results of the formation and study of the morphological and structural characteristics of the mesoporous ZnO / Al2O3 nanofibers film (ZANF). The deposition of a ZnO layer on Al2O3 nanofibers film (ANF) ~ 1 µm thick was carried out by the method of atomic layer deposition. The morphology of the mesoporous composite layer ZnO / Al2O3 (ZANF) has been studied by scanning and transmission electron microscopy. It is shown that in the process of atomic layer deposition, the ZnO layer grows according to the Stranski-Krastanov mechanism. A ZnO layer less than 5 nm thick gives an island structure in which Al2O3 nanofibers are uniformly coated with ZnO particles, an increase in the ZnO layer thickness to 15 nm demonstrates a continuous coating of Al2O3 nanofibers. The system has a core-shell structure. The resulting composite structures are promising for applications in photocatalysis and gas sensing.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Ovchinnikov S. G.
Заглавие : Effects of strong electron correlations in X-ray and electron spectra of high-T-c superconductors
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2000. - Vol. 42, Is. 5. - P788-809. - ISSN 1063-7834, DOI 10.1134/1.1131293
Примечания : Cited References: 92
Предметные рубрики: HIGH-TEMPERATURE SUPERCONDUCTORS
COPPER-OXIDE SUPERCONDUCTORS
MULTIPLE-SCATTERING ANALYSIS
HIGH-ENERGY SPECTROSCOPY
ABSORPTION-SPECTRA
PHOTOELECTRON-SPECTRA
EDGE STRUCTURE
PHOTOEMISSION SPECTRA
INCOMPLETE SHELL
SINGLE-CRYSTAL
Аннотация: The current state of theoretical and experimental studies on the electronic structure of high-T-c superconductors is analyzed. The agreement between the theory and experimental spectroscopic data is shown to be rather poor in certain cases. The reason is that the X-ray and electronic spectra reveal strong electron correlations. At the same time, no realistic model has been developed up to now in which both one-electron and multielectron mechanisms of the formation of the spectra could be described in a unified way in compounds containing transition and rare-earth elements. In this paper, particular attention is paid to a sudden-perturbation model, by which it has been possible to describe or interpret some X-ray and electronic spectra, including both one-electron and multielectron effects. (C) 2000 MAIK "Nauka/Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Babkin E. V., Koval K. P., Pynko V. G.
Заглавие : Magnetic-properties of ferrimagnetic iron-oxide gamma-Fe2O3
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz. - 1991. - Vol. 100, Is. 2. - P.582-589. - ISSN 0044-4510
Примечания : Cited References: 10
Аннотация: The results of an investigation of the magnetic properties of iron oxide gamma-Fe2O3 are presented. Epitaxial crystallization on a magnesium oxide backing ensured the stability of the compound in a broad temperature range. The temperature dependences of the magnetization and magnetic anisotropy constants are measured. The magnetization of the sublattices and the single-ion anisotropy constants foh the Fe3+ ion are determined. A magnetic anisotropy induced by the growth of the film is observed, its nature being dependent on the crystallographic orientation of the backing. It is shown that the cause of the appearance of the anisotropy is the ordering of the cation vacancies during the growth of the film.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Nekrasov I. A., Pavlov N. S., Slobodchikov A. A.
Заглавие : Band structure of tungsten oxide W20O58 with ideal octahedra
Место публикации : JETP Letters. - 2021. - Vol. 113, Is. 1. - P.57-60. - ISSN 00213640 (ISSN), DOI 10.1134/S0021364021010057
Примечания : Cited References: 38. - This work was supported by the Russian Foundation for Basic Research, the Government of Krasnoyarsk Territory, and Krasnoyarsk Regional Fund of Science (project no. 19-42-240007 “Electronic Correlation Effects and Multiorbital Physics in Iron-Based Materials and Cuprates,” M.M.K.), by the Russian Foundation for Basic Research (project nos. 18-02-00281 and 20-02-00011, I.A.N., N.S.P., A.A.S.), and by the of the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (project no. MK-1683.2019.2, N.S.P. and A.A.S.)
Аннотация: The band structure, density of states, and the Fermi surface of a tungsten oxide WO2.9 with idealized crystal structure (ideal octahedra WO6 creating a “square lattice”) is obtained within the density functional theory in the generalized gradient approximation. Because of the oxygen vacancies ordering this system is equivalent to the compound W20O58 (Magneli phase), which has 78 atoms in unit cell. We show that 5d-orbitals of tungsten atoms located immediately around the voids in the zigzag chains of edge-sharing octahedra give the dominant contribution near the Fermi level. These particular tungsten atoms are responsible of low-energy properties of the system.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bikbaev R. G., Vetrov S. Ya., Timofeev I. V.
Заглавие : Transparent conductive oxides for the epsilon-near-zero Tamm plasmon polaritons
Место публикации : J. Opt. Soc. Am. B. - 2019. - Vol. 36, Is. 10. - P.2817-2823. - ISSN 07403224 (ISSN), DOI 10.1364/JOSAB.36.002817
Примечания : Cited References: 44. - The reported study was funded by RFBR according to the research project No 18-32-00053 and financial support RFBR and MOST according to the research project No 19-52-52006.
Аннотация: We demonstrate the possibility of using transparent conducting oxides [aluminum-doped zinc oxide (AZO), gallium-doped zinc oxide (GZO), indium tin oxide (ITO)] to form Tamm plasmon polaritons in the near-infrared spectral range where the permittivity of oxides is near zero. The spectral properties of the structures are investigated in the framework of the temporal coupled-mode theory and confirmed by the transfer matrix method. It is found that in the critical coupling conditions, the maximal Q-factor of a Tamm plasmon polariton is achieved when a photonic crystal is conjugated with the AZO film, while at the conjugation with the ITO films, the broadest spectral line is obtained. The sensitivity of the wavelength and spectral width of the Tamm plasmon polariton to changes in the oxide film thickness, bulk concentration of a dopant, and angle of incidence is demonstrated.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Baker, Syed, Prudnikova, Svetlana V., Shumilova, Anna A., Perianova, Olga V., Zharkov S. M., Kuzmin A.
Заглавие : Bio-functionalization of phytogenic Ag and ZnO nanobactericides onto cellulose films for bactericidal activity against multiple drug resistant pathogens
Место публикации : J. Microbiol. Methods. - 2019. - Vol. 159. - P.42-50. - ISSN 0167-7012, DOI 10.1016/j.mimet.2019.02.009. - ISSN 1872-8359(eISSN)
Примечания : Cited References: 59
Предметные рубрики: SILVER NANOPARTICLES
ANTIMICROBIAL ACTIVITY
SIZE
COMPOSITES
MEMBRANE
Аннотация: The present study describes the synthesis of silver and zinc oxide nanobactericides from the phytogenic source Bupleurum aureum The synthesized nanobactericides were characterized and evaluated for bio-functionalization onto bacterial cellulose membrane which was synthesized by Komagataeibactencylinus B-12068 culture strain. The synthesis of nanobacterides were initially confirmed using UV-Visible spectroscopy which indicated localized surface resonance (LSPR) peaks at 415 nm for silver nanobactericides and 280 nm for zinc nanobactericides. The nature of the capping agent for synthesized nanobactericides was predicted using FTIR which confirmed the presence of functional moieties. XRD analysis revealed their crystalline nature while morphological characteristics were studied using TEM which confirmed the polydispersity of nanobactericides with the average size in the range of 20-25 nm. The nanobactericides were tested for their antimicrobial activity against seven multi-drug resistant pathogens which were clinically isolated from patients suffering from a myriad of microbial infections. The tested pathogens had antimicrobial resistance to ten different antibiotics and have been reported to be the major cause of nosocomial infections. The nanobactericides displayed significant activity against the test pathogens. Silver nanobactericides showed the highest activity against Escherichia coli strain 55 with a 24 mm zone of inhibition while zinc oxide nanobactericides displayed the highest activity against methicillinresistant Staphylococcus aureus (MRSA) with a 20 mm inhibition zone. The bio- functionalized cellulose films (BCF) were characterized using SEM along with physicochemical analysis. The BCF's were evaluated for anti-bacterial activity against test pathogens which resulted in marked antimicrobial potential against multi-drug resistant bacteria and therefore has the potential to be utilized as an efficient alternative to counter drug resistant pathogens.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Anshits A. G., Bayukov O. A., Kondratenko E. V., Anshits N. N., Pletnev O. N., Rabchevskii E. V., Solovyov L. A.
Заглавие : Catalytic properties and nature of active centers of ferrospheres in oxidative coupling of methane
Коллективы : Russian Science Foundation [14-13-00289]
Место публикации : Appl. Catal. A-Gen.: Elsevier Science, 2016. - Vol. 524. - P.192-199. - ISSN 0926-860X, DOI 10.1016/j.apcata.2016.06.032. - ISSN 1873-3875(eISSN)
Примечания : Cited References:47. - This study was supported by the Russian Science Foundation (project no. 14-13-00289).
Предметные рубрики: GLASS CRYSTAL CATALYSTS
MAGNETIC-PROPERTIES
PROFILE REFINEMENT
FLY-ASH
MOSSBAUER
MICROSPHERES
PERFORMANCE
CONVERSION
ETHYLENE
OXIDE
Ключевые слова (''Своб.индексиров.''): methane coupling--active center--ferrospinel--mossbauer spectroscopy
Аннотация: Ferrospheres with the Fe2O3 content in the range from 76 to 97 wt% were applied as catalysts for the oxidative coupling of methane (OCM). To identify their phase composition and distribution of iron sites, the ferrospheres were characterized by X-ray powder diffraction and Mossbauer spectroscopy before and after the OCM reaction. Magnetite-based ferrite spinel, hematite and aluminosilicate glasses were established to be the main phases. The ferrospinel of all ferrospheres partially oxidized to hematite after the OCM reaction. It was established that the yield of C-2-hydrocarbons sharply increased at the ferrospheres with Fe2O3 content higher than 89 wt% The spinel phase of these ferrospheres includes Fevv3+(B) sites with a Ca2+ tetrahedral cation and an octahedral cation vacancy among the nearest neighbors. A linear correlation between the yield of C-2-hydrocarbons (ethane and ethylene) and the content of such sites was established, thus indicating that their electrophilic oxygen species participate in selective CH4 conversion to C2H6. (C) 2016 Elsevier B.V. All rights reserved.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrov M. I., Balaev D. A., Ospishchev S. V., Shaikhutdinov K. A., Khrustalev B. P., Aleksandrov K. S.
Заглавие : Characteristics of current flow in composites made from a high-temperature superconductor and the low-temperature superconducting metal oxide Ba(PbBi)O-3
Место публикации : Phys. Solid State: American Institute of Physics, 1997. - Vol. 39, Is. 3. - P.362-368. - ISSN 1063-7834, DOI 10.1134/1.1130134
Примечания : Cited References: 21
Предметные рубрики: BAPB1-XBIXO3 SYSTEM
YBA2CU3O7-DELTA
Аннотация: Composites are prepared from a high-temperature superconductor with the 1-2-3 structure and the low-temperature oxide BaPb3/4Bi1/4O3 with various volume concentrations of the high-temperature and low-temperature superconductors. The temperature dependences of the electrical resistivities and critical current densities of the composites are measured. It is shown experimentally that these composites comprise a synthetically created network of Josephson weak links (with a specified degree of coupling). (C) 1997 American Institute of Physics.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrov D. A., Lin C. R., Ivantsov R. D., Ovchinnikov S. G., Zharkov S. M., Yurkin G. Yu., Velikanov D. A., Knyazev Yu. V., Molokeev M. S., Tseng Y. T., Lin E. S., Edelman I. S., Baskakov A. O., Starchikov S. S., Lyubutin I. S.
Заглавие : Characterization of the iron oxide phases formed during the synthesis of core-shell FexOy@C nanoparticles modified with Ag
Место публикации : Nanotechnology. - 2020. - Vol. 31, Is. 39. - Ст.395703. - ISSN 13616528 (ISSN), DOI 10.1088/1361-6528/ab9af2
Примечания : Cited References: 46. - The reported study was funded by Joint Research Project of Russian Foundation for Basic Research № 19-52-52002 and Ministry of Science and Technology, Taiwan MOST № 108-2923-M-153-001-MY3 and № 106-2112-M-153-001-MY3. The samples of series 1 were studied with the support of the Ministry of Science and Higher Education of the Russian Federation within the State assignment FSRC «Crystallography and Photonics» RAS. The electron microscopy investigations were conducted in the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation
Аннотация: Core–shell FexOy@C nanoparticles (NPs) modified with Ag were studied with x-ray diffraction, transmission electron microscopy, energy dispersive elemental mapping, Mössbauer spectroscopy, static magnetic measurements, and optical magnetic circular dichroism (MCD). FexOy@C NPs synthesized by the pyrolysis process of the mixture of Fe(NO3)3 centerdot 9H2O with oleylamine and oleic acid were added to a heated mixture of oleylamine and AgNO3 in different concentrations. The final product was a mixture of iron oxide crystalline NPs in an amorphous carbon shell and Ag crystalline NPs. The iron oxide NPs were presented by two magnetic phases with extremely close crystal structures: Fe3O4 and γ-Fe2O3. Ag is shown to form crystalline NPs located very close to the iron oxide NPs. An assumption is made about the formation of hybrid FexOy@C-Ag NPs. Correlations were obtained between the Ag concentration in the fabricated samples, their magnetic properties and the MCD spectrum shape. Introducing Ag led to a approximately linear decrease of the NPs saturation magnetization depending upon the Ag concentration, it also resulted into the MCD spectrum shift to the lower light wave energies. MCD was also studied for the Fe3O4@C NPs synthesized earlier with the same one-step process using different heat treatment temperatures, and MCD spectra were compared for two series of NPs. A possible contribution of the surface plasmon excitation in Ag NPs to the MCD spectrum of the FexOy@C-Ag NPs is discussed.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sofronova S. N., Moshkina E. M., Nazarenko I. I., Veligzhanin A., Molokeev M. S., Eremin E. V., Bezmaternykh L. N.
Заглавие : Chemical disorder reinforces magnetic order in ludwigite (Ni,Mn)3BO5 with Mn4+ inclusion
Место публикации : J. Magn. Magn. Mater. - 2018. - Vol. 465. - P.201-210. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2018.05.068
Примечания : Cited References: 31
Ключевые слова (''Своб.индексиров.''): oxide--oxyborate--magnetism--crystal growth--exafs
Аннотация: Crystals of ludwigite Ni2.14Mn0.86BO5 were synthesized by flux growth technique. We show in the paper that it contains Mn3+ and Mn4+. A possible mechanism of the manganese valence states stabilization has been proposed. The structural and magnetic characterization of the synthesized samples has been carried out in detail. The cations composition and Mn valence states of the crystal were determined using X-ray diffraction and EXAFS technique. The comparative analysis was carried out between the studied crystal and Ni2MnBO5 synthesized previously. Magnetic susceptibility measurements were carried out. The magnetic transition in the studied composition occurs at the 100 K that is higher than in Ni2MnBO5 although the studied composition is more disordered. The calculations of the exchange integrals in the frameworks of indirect coupling model revealed strong antiferromagnetic interactions. The several magnetic subsystems existence hypothesis was supposed. The possible magnetic structure was suggested from the energies estimation for different ordering variants.
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15.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kurilova A. V., Klimenko D. I., Kundelev E. V., Sukhachev A. L., Shulga K. V., Dubavik A. U., Sokolov A. Е.
Заглавие : Chiromagnetic oxide cobalt nanoparticles: synthesis and magnitooptical properties
Коллективы : Российская академия наук, Физико-технический институт им. Е.К. Завойского ФИЦ Казанского научного центра РАН, Казанский (Приволжский) федеральный университет, Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : VIII Euro-Asian symposium "Trends in magnetism" (EASTMAG-2022): Book of abstracts/ program com. S. G. Ovchinnikov [et al.]. - 2022. - Vol. 1, Sect.: Spintronics and magnetic nanostructures. - Ст.A.P59. - P.209-210. - ISBN 978-5-94469-051-7
Примечания : Cited References: 7. - The reported study was funded by RFBR, project number 20-32-90144
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Nasluzov V. A., Rivanenkov V. V., Gordienko A. B., Neyman K. M., Birkenheuer U., Rosch N.
Заглавие : Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)
Место публикации : J. Chem. Phys.: AMER INST PHYSICS, 2001. - Vol. 115, Is. 17. - P8157-8171. - ISSN 0021-9606, DOI 10.1063/1.1407001
Примечания : Cited References: 88
Предметные рубрики: TRANSITION-METAL ATOMS
AB-INITIO
OXIDE SURFACES
ELECTRONIC-PROPERTIES
ENERGY CALCULATIONS
MOLECULAR-DYNAMICS
MOTT-LITTLETON
MADELUNG FIELD
IONIC-CRYSTAL
MGO
Ключевые слова (''Своб.индексиров.''): atoms--binding energy--computer simulation--electron energy levels--electronic structure--magnesia--oxygen--palladium--polarization--probability density function--quantum theory--relaxation processes--charged defects--cluster embedding--elastic polarizable environment--electron affinity--oxygen vacancies--adsorption
Аннотация: Adsorption complexes of palladium atoms on F-s, F-s(+), F-s(2+), and O2- centers of MgO(001) surface have been investigated with a gradient-corrected (Becke-Perdew) density functional method applied to embedded cluster models. This study presents the first application of a self-consistent hybrid quantum mechanical/molecular mechanical embedding approach where the defect-induced distortions are treated variationally and the environment is allowed to react on perturbations of a reference configuration describing the regular surface. The cluster models are embedded in an elastic polarizable environment which is described at the atomistic level using a shell model treatment of ionic polarizabilities. The frontier region that separates the quantum mechanical cluster and the classical environment is represented by pseudopotential centers without basis functions. Accounting in this way for the relaxation of the electronic structure of the adsorption complex results in energy corrections of 1.9 and 5.3 eV for electron affinities of the charged defects F-s(+) and F-s(2+), respectively, as compared to models with a bulk-terminated geometry. The relaxation increases the stability of the adsorption complex Pd/F-s by 0.4 eV and decreases the stability of the complex Pd/F-s(2+) by 1.0 eV, but it only weakly affects the binding energy of Pd/F-s(+). The calculations provide no indication that the metal species is oxidized, not even for the most electron deficient complex Pd/F-s(2+). The binding energy of the complex Pd/O2- is calculated at -1.4 eV, that of the complex Pd/F-s(2+) at -1.3 eV. The complexes Pd/F-s and Pd/F-s(+) exhibit notably higher binding energies, -2.5 and -4.0 eV, respectively; in these complexes, a covalent polar adsorption bond is formed, accompanied by donation of electronic density to the Pd 5s orbital. (C) 2001 American Institute of Physics.
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kobyakov A. V., Yushkov V. I., Rautskii M. V., Volochaev M. N., Patrin G. S.
Заглавие : Combined method of removing the natural oxide silicon
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016): abstracts/ ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk: KIP RAS SB, 2016. - Ст.P11.3. - P.535. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Ключевые слова (''Своб.индексиров.''): surface--oxides--high-frequency plasma
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18.

Вид документа : Статья из сборника (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Dedova E. S., Pertushina M. U., Kondratenko A. I., Gorev M. V., Kulkov S. N.
Заглавие : Complex oxide with negative thermal expansion for producing ceramic matrix composites with invar effect
Коллективы : International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016
Место публикации : AIP Conf. Proc. - 2016. - Vol. 1783: Advanced materials with hierarchical structure for new technologies and reliable structures 2016. - Ст.020037. - , DOI 10.1063/1.4966330
Примечания : Cited References: 12. - The research was conducted with partial financial support by an agreement with the Ministry of Education No. 14.575.21.0040 (RFMEFI57514X0040). Authors are grateful to Institute of Physics for their help in the dilatometer investigation.
Ключевые слова (''Своб.индексиров.''): ceramics--zirconium tungstate--negative thermal expansion coefficient--phase transformation--spinel
Аннотация: The article investigates the phase composition of (Al2O3 – 20 wt % ZrO2)–ZrW2O8 ceramic composites obtained by cold-pressing and sintering processes. Using X-ray analysis it has been shown that composites mainly have monoclinic modification of zirconium dioxide and orthorhombic phase of aluminum oxide. After adding zirconium tungstate the phase composition of sintered ceramics changes, followed by the formation of tungsten-aluminates spinel such as Alx(WOy)z. It has been shown that thermal expansion coefficient of material decreases approximatly by 30%, as compared with initial ceramics.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Wang, Xuejiao, Molokeev M. S., Zhu, Q.i., Li, Ji-Guang
Заглавие : Controlled hydrothermal crystallization of anhydrous Ln2(OH)4SO4 (Ln = Eu-Lu, Y) as a new family of layered rare earth metal hydroxides
Место публикации : Chem. - A Eur. J. - 2017. - Vol. 23, Is. 63. - P.16034-16043. - ISSN 0947-6539, DOI 10.1002/chem.201703282. - ISSN 1521-3765(eISSN)
Примечания : Cited References:54. - This work is supported in part by the National Natural Science Foundation of China (Grants Nos. 51702020, and 51672039), Doctoral Research Fund of Liaoning Province (Grant No. 20170520103) and the Russian Foundation for Basic Research (17-52-53031). X.W. acknowledges the financial support from the China Scholarship Council for her overseas Ph.D. study (Contract No. 201406080035).
Предметные рубрики: ANION-EXCHANGE MATERIALS
BOND-VALENCE PARAMETERS
X-RAY-DIFFRACTION
Ключевые слова (''Своб.индексиров.''): hydrothermal synthesis--layered compounds--luminescence--oxide sulfates--rare earths
Аннотация: Anhydrous hydroxide sulfates Ln2(OH)4SO4 (Ln=Eu–Lu, Y) were hydrothermally synthesized as a new family of layered rare earth metal hydroxides (LRHs). They crystallize in the monoclinic system (space group C2/m) with structures built up by alternate stacking of interlayer SO42− and the two-dimensional host layer composed of tricapped [LnO9] trigonal prisms along the a axis. In distinct contrast to the recently discovered hydrated LRHs Ln2(OH)4SO4⋅2 H2O, which only exist for Ln=La–Dy, the host layers of the anhydrous phase are linked together by sharing edges instead of an O node of the SO42− tetrahedron. Rietveld refinement showed that the cell dimension tends to decrease for smaller Ln3+, while the axis angle (β=98.78–100.31°) behaves oppositely. Comparative thermogravimetric/differential thermal analysis in air revealed that the dehydroxylation and desulfurization temperatures become gradually higher and lower, respectively, for smaller Ln3+, and thus the temperature range of Ln2O2SO4 existence is narrowed. The newly discovered Ln2(OH)4SO4, together with their hydrated counterparts, allow for the first time green synthesis of Ln2O2SO4 with water as the only exhaust for the full spectrum of lanthanides. Calcining Ln2(OH)4SO4 in H2 yielded phase-pure Ln2O2S for Eu and Gd and a mixture of Ln2O2S and Ln2O3 for the other Ln. The effects of the lanthanide contraction were clearly revealed, and photoluminescence was found for the anhydrous LRHs of Eu and Tb.
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20.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Petrov D. A., Ivantsov R. D., Zharkov S. M., Yurkin G. Yu., Molokeev M. S., Knyazev Yu. V., Lin C.-R., Tseng Y.-T.
Заглавие : Core-shell iron oxide-carbon nanoparticles modified with Ag. synthesis, morphology, magnetic properties
Коллективы : Российская академия наук, Уральское отделение РАН, Институт физики металлов им. М. Н. Михеева Уральского отделения РАН, Уральский федеральный университет им. первого Президента России Б.Н. Ельцина, Российский фонд фундаментальных исследований, Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : Euro-asian symposium "Trends in magnetism" (EASTMAG-2019): Book of abstracts/ чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.] ; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. - Vol. 2. - Ст.J.P18. - P.220-221. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 2. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project No. 18-42-243021 and by Joint Research Project of Russian Foundation for Basic Research and Ministry of Science and Technology, Taiwan MOST No. 19-52-52002
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