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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ruseikina A. V., Grigoriev M. V., Solovyov L. A., Chernyshev V. A., Aleksandrovsky A. S., Krylov A. S., Krylova S. N., Shestakov N. P., Velikanov D. A., Garmonov A. A., Matigorov A. V., Eberle M. A., Schleid T., Safin D. A.
Заглавие : A Challenge toward novel quaternary sulfides SrLnCuS3 (Ln = La, Nd, Tm): Unraveling synthetic pathways, structures and properties
Место публикации : Int. J. Mol. Sci. - 2022. - Vol. 23, Is. 20. - Ст.12438. - ISSN 14220067 (ISSN), DOI 10.3390/ijms232012438
Примечания : Cited References: 62. - The research was funded by the Tyumen Oblast Government, as part of the West-Siberian Interregional Science and Education Center’s project No. 89-DON (3). This work was supported by state assignment of the Ministry of Science and Higher Education of the Russian Federation (Project Reg. No. 720000Φ.99.1.Б385AA13000)
Аннотация: We report on the novel heterometallic quaternary sulfides SrLnCuS3 (Ln = La, Nd, Tm), obtained as both single crystals and powdered samples. The structures of both the single crystal and powdered samples of SrLaCuS3 and SrNdCuS3 belong to the orthorhombic space group Pnma but are of different structural types, while both samples of SrTmCuS3 crystallize in the orthorhombic space group Cmcm with the structural type KZrCuS3. Three-dimensional crystal structures of SrLaCuS3 and SrNdCuS3 are formed from the (Sr/Ln)S7 capped trigonal prisms and CuS4 tetrahedra. In SrLaCuS3, alternating 2D layers are stacked, while the main backbone of the structure of SrNdCuS3 is a polymeric 3D framework [(Sr/Ln)S7]n, strengthened by 1D polymeric chains (CuS4)n with 1D channels, filled by the other Sr2+/Ln3+ cations, which, in turn, form 1D dimeric ribbons. A 3D crystal structure of SrTmCuS3 is constructed from the SrS6 trigonal prisms, TmS6 octahedra and CuS4 tetrahedra. The latter two polyhedra are packed together into 2D layers, which are separated by 1D chains (SrS6)n and 1D free channels. In both crystal structures of SrLaCuS3 obtained in this work, the crystallographic positions of strontium and lanthanum were partially mixed, while only in the structure of SrNdCuS3, solved from the powder X-ray diffraction data, were the crystallographic positions of strontium and neodymium partially mixed. Band gaps of SrLnCuS3 (Ln = La, Nd, Tm) were found to be 1.86, 1.94 and 2.57 eV, respectively. Both SrNdCuS3 and SrTmCuS3 were found to be paramagnetic at 20-300 K, with the experimental magnetic characteristics being in good agreement with the corresponding calculated parameters.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov I. A., Visotin M. A., Solovyov L. A., Fedorov A. S., Yakovlev I. A., Tarasov A. S., Varnakov S. N., Ovchinnikov S. G.
Заглавие : A way for targeted synthesis of higher manganese silicides: a new Mn17Si30 phase and its distinctive features
Коллективы : Nanostructures: Physics and Technology, International Symposium, Институт физики им. Б. И. Степанова НАН Беларуси, Санкт-Петербургский национальный исследовательский Академический университет Российской академии наук, Физико-технический институт им. А.Ф. Иоффе РАН, Научно-технологический центр микроэлектроники и субмикронных гетероструктур Российской академии наук
Место публикации : Nanostructures: physics and technology: proc. 26th Int. symp. - 2018. - P.209-210. - ISBN 978-985-7202-35-5
Примечания : Cited References: 3
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov I. A., Visotin M. A., Kuznetsova T. V., Solovyov L. A., Fedorov A. S., Yakovlev I. A., Tarasov A. S., Varnakov S. N., Ovchinnikov S. G.
Заглавие : A way for targeted synthesis of higher manganese silicides: a new Mn17Si3O phase and its distinctive features
Коллективы : Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Research Institute of Agriculture and Ecology of the Arctic, Siberian Federal Univercity
Место публикации : International school/workshop on actual problems of condensed matter physics: Program. Book of abstracts/ ed. S. G. Ovchinnikov. - Norilsk, 2018. - P.14-15. - ISBN 978-5-904603-08-3
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Gokhfeld Yu. S., Kazak N. V., Molokeev M. S., Dudnikov V. A., Solovyov L. A., Ovchinnikov S. G.
Заглавие : Anisotropic thermal expansion in Co3BO5 ludwigite
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. 2, Sect. H: Magnetism of strongly correlated electron systems. - Ст.H.P6. - P.87-88. - ISBN 978-5-94469-051-7
Примечания : Cited References: 3. - Support by RFBR 20-02-00559 and 21-52-12033 ННИО_а is acknowledged
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov A. S., Lukyanenko A. V., Tarasov I. A., Bondarev I. A., Smolyarova T. E., Kosyrev N. N., Komarov V. A., Yakovlev I. A., Volochaev M. N., Solovyov L. A., Shemukhin A. A., Varnakov S. N., Ovchinnikov S. G., Patrin G. S., Volkov N. V.
Заглавие : Approach to form planar structures based on epitaxial Fe1 − xSix films grown on Si(111)
Место публикации : Thin Solid Films: Elsevier, 2017. - Vol. 642. - P.20-24. - ISSN 00406090 (ISSN), DOI 10.1016/j.tsf.2017.09.025
Примечания : Cited References: 29. - We thank V.S. Zhigalov for assistance with the electron microscopy studies. The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research projects Nos. 16-42-243046, 16-42-242036 and 16-42-243060. The work was also supported by the Program of the President of the Russian Federation for the support of leading scientific schools (Scientific School 7559.2016.2).
Ключевые слова (''Своб.индексиров.''): iron silicides--wet etching--planar structures--moke microscopy
Аннотация: An approach to form planar structures based on ferromagnetic Fe1 − xSix films is presented. Epitaxial Fe1 − xSix iron‑silicon alloy films with different silicon content (x = 0–0.4) were grown on Si(111) substrates. Structural in situ and ex situ characterization of the films obtained was made by X-ray diffraction, reflective high-energy electron diffraction, Rutherford backscattering spectrometry and transmission electron microscopy, which confirmed single crystallinity and interface abruptness for all films. Etching rates in the wet etchant (HF: HNO3: H2O = 1: 2: 400) for the films with various chemical composition were obtained. A nonmonotonic dependence of the etching rate on silicon content with a maximum for the composition Fe0.92Si0.08 was discovered. Moreover, the etching process is vertical and selective in the etching solution, i.e., the etching process takes place only in silicide film and does not affect substrate. As an example, a four-terminal planar structure was made of Fe0.75Si0.25/Si(111) structure using the etching rate obtained for this silicon content. Magneto-optical Kerr effect (MOKE) microscopy and transport properties characterization indicated successful etching process.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Solovyov L. A., Golovnev N. N., Molokeev M. S., Lesnikov M. K.
Заглавие : Bis(μ3-barbiturato−O,O,O′)-(μ2-aqua)- aqua-barium(II): crystal structure, spectroscopic and thermal properties
Место публикации : J. Coord. Chem.: Taylor & Francis, 2017. - Vol. 70, Is. 12. - P.1984-1993. - ISSN 00958972 (ISSN), DOI 10.1080/00958972.2017.1319943
Примечания : Cited References: 21
Ключевые слова (''Своб.индексиров.''): barbituric acid--barium--coordination compound--x-ray diffraction--infrared spectroscopy--thermal analysis
Аннотация: A polymeric coordination compound, [Ba(H2O) 2(Hba)2] (1) (H2ba – barbituric acid, C4H4N2O3), was obtained. The structure of 1 was solved using powder X-ray diffraction methods. The Ba2+ ion in 1 formed a three-capped trigonal prism. The BaO9 polyhedra, connected with each other by the edges and faces, formed a chain. Several 4- and 12-membered cycles due to the bridging μ2-H2O and bridging μ3-Hba– also formed implementing a 3-D polymer structure. The structures of 1 and other thiobarbiturate complexes were compared. The replacement of a S atom by an O atom in the heterocyclic ligand Htba− (thiobarbiturate ion) of the compound Ba(H2O)2(Htba)2 resulted in changes of the coordination number Ba(II) and supramolecular structure. The intermolecular hydrogen bonds O–H⋯O and N–H⋯O formed a 3-D net where pronounced 2-D layers of Hba– ions could be found. A new topological net in 1 was observed. The IR and thermal stability were investigated.
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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Knyazev Yu. V., Shishkina N. N., Bayukov O. A., Kirik N. P., Solovyov L. A., Zhizhaev A. M., Rabchevsky E. V., Anshits A. G.
Заглавие : Cation Distribution in the Composite Materials of the CaFe2O4-α-Fe2O3 Series
Коллективы : Russian Foundation for Basic Research; Government of the Krasnoyarsk Krai; Krasnoyarsk Regional Science Foundation [18-42-243011]; UMNIK program
Место публикации : J. Struct. Chem. - 2019. - Vol. 60, Is. 5. - P.763-771. - ISSN 0022-4766, DOI 10.1134/S0022476619050081. - ISSN 1573-8779(eISSN)
Примечания : Cited References: 25. - The study was performed with the financial support of the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Krai, the Krasnoyarsk Regional Science Foundation within the project No. 18-42-243011 "The effect of the composition and the defective structure of CaFe2O4 based "core-shell" composite materials on their electronic and catalytic properties" and the UMNIK program.
Предметные рубрики: PD/P-TYPE CAFE2O4
OXYGEN
CONDUCTIVITY
Аннотация: Structured composite materials CaFe2O4-α-Fe2O3 (α-Fe2O3 content is 2–82 wt.%) are obtained with the method of solid-phase synthesis at 1000 °C. The phase composition of the samples is studied using powder X-ray diffraction. It is shown that the content of CaFe2O4 and α-Fe2O3 phases changes linearly, depending on the composition of the starting material. The scanning electron microscopy data indicate the formation of a two-phase system α-Fe2O3-CaFe2O4. The Mössbauer spectroscopy data at room temperature testify the formation of cationic iron vacancies in the CaFe2O4 crystal structure in the absence of α-Fe2O3 structural defects. Cationic vacancies can be formed during the synthesis in the atmosphere of air.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fomenko E. V., Akimochkina G. V., Knyazev Yu. V., Semenov S. V., Yumashev V. V., Solovyov L. A., Anshits A. G.
Заглавие : Characterization and magnetic properties of sintered glass-ceramics from dispersed fly ash microspheres
Место публикации : Magnetochemistry. - 2023. - Vol. 9, Is. 7. - Ст.177. - ISSN 23127481 (eISSN), DOI 10.3390/magnetochemistry9070177
Примечания : Cited References: 50. - Russian Science Foundation and the Krasnoyarsk Regional Science Foundation, grant number 22-27-20039, https://rscf.ru/project/22-27-20039/ (accessed on 15 March 2023)
Аннотация: The recycling of hazardous industrial waste into high-tech materials with desired properties is of considerable interest since it provides optimal alternatives for its final disposal. Coal fly ash, the major waste generated by coal-fired power plants, contains significant quantities of dispersed microspheres with a diameter smaller than 10 μm, which are anthropogenic atmospheric pollutants PM10. Due to their composition and fine-grained powder morphology, they can be converted into sintered products. In this study, dispersed microspheres from class C fly ash were directly sintered without any additive to form high-strength glass-ceramics with magnetic properties. The optimum processing conditions were achieved at a temperature of 1200 °C, at which samples with a compressive strength of 100.6 MPa were obtained. Sintering reduces the quantity of the glass phase and promotes the formation of larnite, Fe-spinel, ye’elimite, and ternesite. Mössbauer measurements show that the relative concentration of the magnetic phase compared to the paramagnetic one rises almost in order. The sintered sample demonstrates a narrower distribution of the hyperfine magnetic field and a significantly lower value of the coercive field of 25 Oe, which allows proposing such materials as soft magnetic materials. The presented results demonstrate promising industrial applications of hazardous PM10 to minimize solid waste pollution.
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10.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Tarasov A. S., Rautskii M. V., Lukyanenko A. V., Volochaev M. N., Eremin E. V., Korobtsov V .V., Balashev V. V., Vikulov V. A., Solovyov L. A., Volkov N. V.
Заглавие : Characterization and magnetotransport properties of textured Fe3O4 films
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.O10.21. - P.465. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Примечания : References: 2. - This work was partially supported by RFBR project no. 14-02-00234, the RAS «Far East» Program No 0262-2015-0057
Ключевые слова (''Своб.индексиров.''): magnetite--texture film--spin-dependent transport
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11.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kazak N. V., Platunov M. S., Knyazev Yu. V., Bezmaternykh L. N., Veligzhanin A. A., Zubavichus Y. V., Trigub A., Solovyov L. A., Ovchinnikov S. G.
Заглавие : Charge ordering in Mn2BO4: XRD and XANES studies
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.I10.6. - P.432. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Примечания : References: 3. - This work has been financed by the Council for Grants of the President of the Russian Federation (SP-938.2015.5), the RFBR (№ 16-32-60049 mol_a_dk, № 16-32-00206 mol_a), SB RAS program № II.2P contract 0358-2015-0005 and by «UMNIK» program.
Ключевые слова (''Своб.индексиров.''): charge ordering--x-ray spectroscopy--x-ray diffraction--phase transitions
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Moiseenko E. T., Zharkov S. M., Altunin R. R., Belousov O. V., Solovyov L. A., Yumashev V. V., Volochaev M. N., Zeer G. M.
Заглавие : Correction to: Peculiarities of intermetallic phase formation in the process of a solid state reaction in (Al/Cu)n multilayer thin films (vol 73, pg 580, 2021)
Место публикации : JOM. - 2021. - Vol. 73, Is. 6. - P.1988. - ISSN 1047-4838, DOI 10.1007/s11837-021-04633-x. - ISSN 1543-1851(eISSN)
Примечания : Cited References: 1
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Platunov M. S., Dudnikov V. A., Orlov Yu. S., Kazak N. V., Solovyov L. A., Zubavichus Y. V., Veligzhanin A. A., Dorovatovskii P. V., Vereshchagin S. N., Shaykhutdinov K. A., Ovchinnikov S. G.
Заглавие : Crystal structure and electronic states of Co and Gd ions in a Gd0.4Sr0.6CoO2.85 single crystal
Коллективы : Russian Foundation for Basic Research [13-02-00958, 13-02-00358, 14-02-31051, 16-32-60049]; Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools [SP-938.2015.5]; program "UMNIK"; Siberian Branch, Russian Academy of Sciences [V.45.3.1]
Место публикации : JETP Letters. - 2016. - Vol. 103, Is. 3. - P.196-200. - ISSN 0021-3640, DOI 10.1134/S0021364016030139. - ISSN 1090-6487(eISSN)
Примечания : Cited References:20. - This work was supported in part by the Russian Foundation for Basic Research (project nos. 13-02-00958, 13-02-00358, 14-02-31051, and 16-32-60049), by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. SP-938.2015.5), and by the program "UMNIK." The X-ray diffraction and thermochemical studies were supported by the Siberian Branch, Russian Academy of Sciences (project no. V.45.3.1).
Предметные рубрики: X-RAY-ABSORPTION
PROFILE REFINEMENT
PEROVSKITE
CHARGE
SPIN
Аннотация: X-ray diffraction and X-ray absorption near edge structure (XANES) spectra have been measured at the Со K-edge and Gd L3-edge in GdCoO3 and Gd0.4Sr0.6CoO2.85 cobaltites. The effect of Sr substitution on the crystal structure and electronic and magnetic states of Co3+ ions in a Gd0.4Sr0.6CoO2.85 single crystal has been analyzed. The XANES measurements at the Co K-edge have not showed a noticeable shift of the absorption edge with an increase in the concentration of Sr. This indicates that the effective valence of cobalt does not change. An increase in the intensity of absorption at the Gd L3-edge is due to an increase in the degree of hybridization of the Gd(5d) and O(2p) states. The effect of hole doping on the magnetic properties results in the appearance of the ferromagnetic component and in a significant increase in the magnetic moment.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnikov V. A., Orlov Yu. S., Solovyov L. A., Vereshchagin S. N., Ustyuzhanin Yu. N., Zharkov S. M., Zeer G. M., Borus A. A., Bondarev V. S., Ovchinnikov S. G.
Заглавие : Crystal structure and thermoelectric properties of mechanically activated LaCoO3
Место публикации : J. Taiwan Inst. Chem. Eng. - 2024. - Vol. 162. - Ст.105560. - ISSN 18761070 (ISSN), DOI 10.1016/j.jtice.2024.105560. - ISSN 18761089 (eISSN)
Примечания : Cited References: 88. - This study was supported by the Russian Science Foundation , project no. 24-22-00091
Аннотация: Background: Crystal structure of rare-earth LaCoO3 cobalt oxide subjected to high energy mechanical activation has been studied. In the temperature range of 300–800 K, the electrical conductivity and Seebeck coefficient were measured. Thermal conductivity was measured at 300–480 K. Methods: Comparative analysis of thermoelectric properties of the samples prepared by standard solid-state reaction and using high-energy mechanical activation was carried out. Findings: It was found that the experimental X-ray diffraction patterns are best described within the model that allows the coexistence of two domains in samples with the same crystal symmetry, but different lattice a and c parameters. The percentage ratio of these domains in the samples depends significantly on the size of the initial particles in the solid-state synthesis reaction and the annealing temperature. Mechanical activation and increase of synthesis temperature result in change of Seebeck coefficient sign and significant decrease of electrical resistivity. The Seebeck coefficient of non-activated samples takes positive values over the entire temperature range and decreases monotonically with increasing temperature, in contrast to mechanically activated samples exhibiting ambipolar behavior.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ruseikina A. V., Solovyov L. A., Molokeev M. S., Andreev O. V.
Заглавие : Crystal structures of EuLnCuS3 (Ln = Nd and Sm)
Место публикации : Russ. J. Inorg. Chem.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 57, Is. 1. - P.79-83. - ISSN 0036-0236, DOI 10.1134/S0036023612010172
Примечания : This work was supported by the Federal Target Program "Scientific and Pedagogical Personnel of Innovative Russia" for 2009-2013 (grant nos. 6K/143-09 (P 646) and NK-409/5 (P2263)) and the President of the Russian Federation (Support Program for Leading Scientific Schools of the Russian Federation, grant NSh-4645.2010.2).The results of this study have been presented at the X International Scientific Conference “Solid-State Chemistry: Nanomaterials, Nanotechnologies” (Stavropol, October 17–22, 2010) and the All-Russia Scientific Conference “Challenges of Modern Chemistry. Theory and Practice” (Ufa, October 21–23, 2010).
Предметные рубрики: RARE-EARTH
MAGNETIC-PROPERTIES
COPPER SULFIDE
CHALCOGENIDES
EUROPIUM
EU2CUS3
Аннотация: The compound sulfides EuLnCuS3 (Ln = Nd and Sm) were obtained for the first time. Their crystal structures were determined from X-ray powder diffraction data. The crystals of both compounds are orthorhombic (space group Pnma). The compound EuNdCuS3 is isostructural with BaLaCuS3; the unit cell parameters are a = 11.0438(2) Å, b = 4.0660(1) Å, c = 11.4149(4) Å. The compound EuSmCuS3 is isostructural with Eu2CuS3; the unit cell parameters are a = 10.4202(2) Å, b = 3.9701(1) Å, c = 12.8022(2) Å.
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16.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Dudnikov V. A., Orlov Yu. S., Gavrilkin S. Yu., Kazak N. V., Platunov M. S., Solovyov L. A., Vereshchagin S. N., Velikanov D. A., Ovchinnikov S. G.
Заглавие : Effect of cation ordering on a-sites on the physical properties of substituted rare-earth cobaltite oxides GD1-XSRXCOO3-Δ
Коллективы : Moscow International Symposium on Magnetism, Московский государственный университет им. М.В. Ломоносова, Российский фонд фундаментальных исследований
Место публикации : Moscow International Symposium on Magnetism (MISM-2017): 1-7 July 2017 : book of abstracts. - 2017. - Ст.4PO-I-48. - P.878 (Шифр 29916280)
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17.

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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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Platunov M. S., Kazak N. V., Knyazev Yu. V., Bezmaternykh L. N., Moshkina E. M., Trigub A. L., Veligzhanin A. A., Zubavichus Y. V., Solovyov L. A., Velikanov D. A., Ovchinnikov S. G.
Заглавие : Effect of Fe-substitution on the structure and magnetism of single crystals Mn2-xFexBO4
Место публикации : J. Cryst. Growth: Elsevier, 2017. - Vol. 475. - P.239-246. - ISSN 00220248 (ISSN), DOI 10.1016/j.jcrysgro.2017.06.026
Примечания : Cited References: 32. - This work has been financed in part by the grants of the Council for Grants of the President of the Russian Federation (project nos. SP-938.2015.5, NSh-7559.2016.2), the Russian Foundation for Basic Research (project nos. 16-32-60049 mol_a_dk, 16-32-00206 mol_a, 17-02-00826-a, 16-32-50058).
Ключевые слова (''Своб.индексиров.''): low dimensional structures--crystal structure--single crystal growth--borates--magnetic materials
Аннотация: Single crystalline Mn2-xFexBO4 with x = 0.3, 0.5, 0.7 grown by the flux method have been studied by means of X-ray diffraction and X-ray absorption spectroscopy at both Mn and Fe K edges. The compounds were found to crystallize in an orthorhombic warwickite structure (sp. gr. Pnam). The lattice parameters change linearly with x thus obeying the Vegard's law. The Fe3+ substitution for Mn3+ has been deduced from the X-ray absorption near-edge structure (XANES) spectra. Two energy positions of the absorption edges have been observed in Mn K-edge XANES spectra indicating the presence of manganese in two different oxidation states. Extended X-ray absorption fine structure (EXAFS) analysis has shown the reduction of local structural distortions upon Fe substitution. The magnetization data have revealed a spin-glass transition at TSG = 11, 14 and 18 K for x = 0.3, 0.5 and 0.7, respectively.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Dudnikov V. A., Orlov Yu. S., Gavrilkin S. Yu., Gorev M. V., Vereshchagin S. N., Solovyov L. A., Perov N. S., Ovchinnikov S. G.
Заглавие : Effect of Gd and Sr ordering in a sites of doped Gd0.2Sr0.8CoO3-δ perovskite on its structural, magnetic, and thermodynamic properties
Место публикации : J. Phys. Chem. C: American Chemical Society, 2016. - Vol. 120, Is. 25. - P,13443-13449. - ISSN 19327447 (ISSN), DOI 10.1021/acs.jpcc.6b04810
Примечания : Cited References: 45. - The authors are thankful to the Russian Science Foundation (Project No. 16-13-00060) for financial support. The magnetic measurements were carried out in the Shared Facility Centre of P. N. Lebedev Physical Institute of RAS.
Предметные рубрики: Ln1-xSrxCoO(3-δ) Ln
PROFILE REFINEMENT
CRYSTAL-STRUCTURE
OXYGEN-CONTENT
COBALTITES
OXIDE
La1-xSrxCoO3-δ
Dy3+
SPIN
Ho3+
Аннотация: Magnetic and thermodynamic properties of perovskite Gd0.2Sr0.8CoO3−δ, with ordered and disordered states of Gd and Sr in the A-sites of the crystal lattice have been studied revealing remarkable differences in the physical properties of the ordered and disordered states. The ordered samples have larger oxygen nonstoichiometry, heat capacity, and thermal expansion anomalies, and abnormal temperature dependence of the magnetization around 350 K.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Orlov Yu. S., Vereshchagin S. N., Novikov, S., V, Burkov A. T., Borus A. A., Sitnikov, M., V, Solovyov L. A., Volochaev M. N., Dudnikov V. A.
Заглавие : Effect of mechanical activation on the thermoelectric properties of Sr1-xSmxTiO3 ceramics
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [19-72-00097]
Место публикации : Ceram. Int. - 2021. - Vol. 47, Is. 20. - P.28992-28999. - ISSN 0272-8842, DOI 10.1016/j.ceramint.2021.07.060. - ISSN 1873-3956(eISSN)
Примечания : Cited References: 31. - This study was supported by the Russian Science Foundation, project no. 19-72-00097
Предметные рубрики: SRTIO3
LA
MICROSTRUCTURE
CONDUCTIVITY
PERFORMANCE
FIGURE
MERIT
Аннотация: The Sr1-xSmxTiO3 (х = 0.025, 0.05, 0.075, 0.1, 0.2) strontium titanate solid solutions were prepared from oxides and carbonates using a conventional ceramic technology based on the mechanochemical activation. The electrical conductivity and Seebeck coefficient of the synthesized compounds were measured in the temperature range from 300 to 800 K. We found that the properties of the samples significantly depend on the preliminary mechanochemical activation. The thermoelectric power factor attains maximum value in the hydrogen reduced samples with concentration of х = 0.05 and 0.075 obtained from nanoparticles: 5.5 μW/(cm · K2) for Sr0.95Sm0.05TiO3 (580 K) and 4.10 μW/(cm · K2) for Sr0.925Sm0.075TiO3 (650 K). An increase in the annealing temperature of mechanically activated samples leads to an even greater increase in electrical conductivity and power factor: 9.2 μW/(cm · K2) for Sr0.925Sm0.075TiO3 (650 K).
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