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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kazak N. V., Rudenko V. V., Gromilov S. A., Ovchinnikov S. G., Knyazev Yu. V.
Заглавие : Structural, magnetic and electronic properties of vanadium-substituted iron warwickite
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.H.P4. - P.79-80. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 4. - Support by the Russian Foundation for Basic Research, Russia (project no. 17-02-00826-a) and Council for Grants of the President of the Russian Federation SP-1334.2019.5 is acknowledged
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Andryushin N. D., Zinenko V. I., Pavlovskiy M. S., Shinkorenko A. S.
Заглавие : First-principles calculations of structural and magnetic properties of CaFeTi2O6 and CaMnTi2O6
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.K.P21. - P.355. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 4
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Вид документа : Статья из сборника (однотомник)
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Автор(ы) : Nemtsev I. V., Zhandun V. S.
Заглавие : Ab initio study of interrelation between structural, magnetic and optical properties of MnGa2O4 and MnCo2O4 spinels
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.K.P27. - P.364-365. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 1. - 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. 18-42-243019: ”Firstprinciples studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions”. This work has been carried out using computing resources of the federal collective usage center Complex for Simulation and Data Processing for Mega-science Facilities at NRC “Kurchatov Institute”, http://ckp.nrcki.ru/
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Petrakovskii G. A., Vorotynov A. M., Velikanov D. A., Shiyan Ya. G., Ovcharenko V. I., Ikorskii V. N., Romanenko G. V., Fursova E. Yu., Shimchak R.
Заглавие : Magnetic resonance in Cu(hfac)2LR heterospin chain polymer complexes
Место публикации : J. Struct. Chem. - 2006. - Vol. 47, Is. 3. - P.447-452. - ISSN 0022-4766, DOI 10.1007/s10947-006-0321-9
Примечания : Cited References: 4
Аннотация: Cu(hfac)2 chain polymer heterospin complexes with pyrazole-substituted nitronylnitroxides (LR, where R = Me, Et) with a composition Cu(hfac)2LR, exhibiting structural rearrangements with magnetic effects in the solid state at reduced temperatures, were studied by magnetic resonance. The magnetic resonance spectrum changes substantially for substituents of different types. The results of this study are discussed in the context of the cluster approach in view of the specific crystal structure of the compounds.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Hu T., Molokeev M. S., Xia Z., Zhang Q.
Заглавие : Aliovalent substitution toward reinforced structural rigidity in Ce3+-doped garnet phosphors featuring improved performance
Место публикации : J. Mater. Chem. C. - 2019. - Vol. 7, Is. 46. - P.14594-14600. - ISSN 20507534 (ISSN), DOI 10.1039/c9tc05354a
Примечания : Cited References: 38. - This work was supported by the National Natural Science Foundation of China (No. 51722202 and 51972118), the Guangdong Provincial Science & Technology Project (2018A050506004) and the Fundamental Research Funds for the Central Universities (D2190980).
Аннотация: Highly efficient phosphors with thermal stability and color-tunable emission are required for the fabrication of phosphor-converted white light-emitting diodes (pc-WLEDs). Currently developed engineering strategies are generally successful in photoluminescence tuning but, unfortunately, suffer severe deterioration in emission intensity/efficiency and/or thermal stability. Herein, an efficient aliovalent substitution strategy toward reinforced structural rigidity is proposed and demonstrated experimentally. By incorporating Be2+ ion into the garnet-type Lu2SrAl4SiO12:Ce3+ phosphor, the phosphor shows enhanced internal/external quantum efficiency, from 79.2%/26.7% to 84.5%/32.9%, photoluminescence tuning from green (peaking at ∼512 nm) to yellow (peaking at ∼552 nm), and zero thermal quenching, even up to 200 °C. The Be2+ substitution at the Al2/Si2 site enables stable and rigid local surroundings around the Ce3+ activator, which is responsible for the unprecedented performance. In addition, high-quality warm WLED devices with a luminous efficiency of 158.1 lm W-1, correlated color temperature of 3858 K and high color rendering index of 81.7, are obtained by combining Lu2SrAl4SiO12:Ce3+,Be2+ as the yellow emitter, CaAlSiN3:Eu2+ as the red emitter and a blue-emitting InGaN chip. These findings highlight a new strategy for performance optimization of LED phosphors by selecting rigid covalent compounds with further reinforced structural rigidity via aliovalent substitution.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Krylov A. S., Moshkina E. M., Gudim I. A., Krylova S. N., Vtyurin A. N.
Заглавие : Investigation structural and magnetic transitions in multiferroics with huntite structure HоFe3-xGax(BO3)4 and TbFe3-xGax(BO3)4
Коллективы : IEEE International Symposium on Applications of Ferroelectrics, International Conference on ElectroCeramics, European Meeting on Ferroelectricity, International Workshop on PiezoMEMS, Piezoresponse Force Microscopy Workshop
Место публикации : Joint Conference of the IEEE ISAF, EMF, ICE, IWPM and PFM: Abstract book. - 2019. - P.506
Примечания : Cited References: 3. - RFBR funded the reported study according to the research project № 18-02-00754
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Azarapin N. O., Aleksandrovsky A. S., Atuchin V. V., Gavrilova T. A., Krylov A. S., Molokeev M. S., Mukherjee S., Oreshonkov A. S., Andreev O. V.
Заглавие : Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln = Pr, Sm)
Место публикации : J. Alloys Compd. - 2020. - Vol. 832. - Ст.153134. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2019.153134. - ISSN 1873-4669 (eISSN)
Примечания : Cited References: 68. - This study was supported by the Russian Science Foundation (19-42-02003). Also, this study was supported by RFBR (18-32-20011, 18-03-00750, in part of Raman analysis). This work was partially supported by DST-RSF project under the India-Russia Programme of Cooperation in Science and Technology (No. DST/INT/RUS/RSF/P-20 dated May 16, 2019). Shaibal Mukherjee would like to thank the Ministry of Electronics and Information Technology (MeitY) for the Young Faculty Research Fellowship (YFRF) under Visvesvaraya Ph.D. Scheme for Electronics and IT. This publication is an outcome of the R&D work undertaken in the project under the Visvesvaraya Ph.D. Scheme of MeitY being implemented by Digital India Corporation (formerly Media Lab Asia). SEM investigations were carried out using the equipment of CKP “Nanostructures”, Novosibirsk, Russia.
Аннотация: Ternary sulfides BaPrCuS3 and BaSmCuS3 are first synthesized by the sulphidation reaction of a mixture of related oxides and metal Cu in a flow of (CS2, H2S) at 1170 K. The crystal structures of BaPrCuS3 and BaSmCuS3 are obtained by Rietveld method. BaPrCuS3 crystallizes in space group Pnma with unit cell parameters a = 10.56074(6), b = 4.11305(2) and c = 13.42845(7) Å, V = 583.289 (5) Å3, Z = 2 (structure type Eu2CuS3). BaSmCuS3 crystallizes in space group Cmcm with unit cell parameters a = 4.07269(4), b = 13.4499(1) and c = 10.3704(1) Å, V = 568.06 (1) Å3, Z = 2 (structure type KZrCuS3). The structural model is proposed for the Cmcm→Pnma transition in ABCX3 (X = S, Se) compounds for the sequence Sm-Pm-Nd-Pr. The dimensionless tolerance factor t = IR(A) × IR(C)/IR(B)2 is suggested to control the boundary between the Cmcm and Pnma structures. The micromorphological, thermal and spectroscopic properties are evaluated for BaPrCuS3. The compound melts incongruently at Tmelt = 1580.9 K. In BaPrCuS3, the band gap is estimated to be 2.1 eV. The vibrational parameters of BaPrCuS3 and BaSmCuS3 are comparatively observed by Raman spectroscopy.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chudin O. S., Verpekin V. V., Kondrasenko A. A., Burmakina G. V., Piryazev D. A., Vasiliev A. D., Pavlenko N. I., Zimonin D. V., Rubaylo A. I.
Заглавие : Chemistry of vinylidene complexes. XXV. Synthesis and reactions of binuclear µ-vinylidene RePt complexes containing phosphite ligands. Spectroscopic, structural and electrochemical study
Место публикации : Inorg. Chim. Acta. - 2020. - Vol. 505. - Ст.119463. - ISSN 00201693 (ISSN), DOI 10.1016/j.ica.2020.119463
Примечания : Cited References: 56. - This work was conducted within the framework of the budget project AAAA-A17-117021310221-7 for Institute of Chemistry and Chemical Technology SB RAS using the equipment of Krasnoyarsk Regional Research Equipment Centre of SB RAS
Аннотация: Reactions of Cp(CO)2ReCCHPh with Pt[P(OR)3]4 (R = Pri, Et, Ph) gave binuclear μ-vinylidene complexes Cp(CO)2RePt(μ-CCHPh)[P(OR)3]2. Treatment of the previously synthesized Cp(CO)2Re(μ-CCHPh)Pt(PPh3)2 with triisopropylphosphite or triethylphosphite resulted in a stepwise substitution of PPh3 ligands, leading to the disubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3]2 and monosubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3](PPh3) (R = Pri or Et) species, while no triphenylphosphine ligand substitution in the reaction with P(OPh)3 occurs at all. The monosubstituted Cp(CO)2RePt(μ-CCHPh)[P(OR)3](PPh3) (R = Pri, Et, Ph) species were also obtained by reacting Cp(CO)2ReCCHPh with mixed-ligand complexes Pt(PPh3)3L (L = P(OPri)3, P(OEt)3, P(OPh)3). Reactions of Cp(CO)2RePt(μ-CCHPh)LL′ (L = L′ = P(OPri)3, P(OEt)3, P(OPh)3; L = P(OPri)3, P(OEt)3, P(OPh)3, L′ = PPh3) with Co2(CO)9 yield tricarbonyl vinylidene species Cp(CO)2RePt(μ-CCHPh)[P(OR)3](CO) (R = Pri, Et, Ph). The obtained compounds were characterized by IR and 1H, 13C, 31P NMR spectroscopy. The molecular structures of Cp(CO)2RePt(μ-CCHPh)[P(OPri)3]2, Cp(CO)2RePt(μ-CCHPh)[P(OPri)3](PPh3) and Cp(CO)2RePt(μ-CCHPh)[P(OPri)3](CO) were determined by X-ray diffraction study. The redox properties of the new complexes and their reactions of chemical oxidation were studied.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Moshkina E. M., Krylova S. N., Gudim I. A., Molokeev M. S., Temerov V. L., Pavlovskiy M. S., Vtyurin A. N., Krylov A. S.
Заглавие : Gallium composition-dependent structural phase transitions in HoFe3-xGax(BO3)4 solid solutions: crystal growth, structure, and Raman spectroscopy study
Место публикации : Cryst. Growth Des. - 2020. - Vol. 20, Is. 2. - P.1058-1069. - ISSN 15287483 (ISSN), DOI 10.1021/acs.cgd.9b01387
Примечания : Cited References: 30. - The reported study was funded by the Russian Foundation for Basic Research No. 18-02-00754. The experiments were performed using equipment of Center for Common Use, Krasnoyarsk Scientific Center, FSC SB RAS
Аннотация: Single crystals of solid solutions of HoFe3–xGax(BO3)4 with x = 0, 0.5, 1, 1.5, and 3 were obtained using flux synthesis. The conditions of the synthesis are described in detail. The structural properties of each of the synthesized samples were studied using X-ray powder diffraction analysis at several temperature points (303, 403, and 503 K). The structural parameters of the obtained samples and the “pure” compounds HoFe3(BO3)4 and HoGa3(BO3)4 were compared. The Raman spectra of the obtained solid solutions HoFe3–xGax(BO3)4 were studied in a wide temperature range (T = 10–400 K). The vibrational spectra and eigenvectors of the HoFe3Ga(BO3)4 and HoGa3(BO3)4 in R32 phase and HoFe3Ga(BO3)4 in P3121 phase were calculated within density functional theory. The features of the Raman spectra of HoFe2Ga(BO3)4, HoFe2.5Ga0.5(BO3)4, HoFe3(BO3)4 crystals associated with the R32 → P3121 structural phase transition, which have a strong dependence on the degree of substitution x, were investigated. Peculiarities of the Raman spectra, which are associated with magnetic ordering in HoFe1.5Ga1.5(BO3)4, HoFe2Ga(BO3)4, and HoFe2.5Ga0.5(BO3)4 crystals, were detected.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Drokina T. V., Petrakovskii G. A., Bayukov O. A., Molokeev M. S., Vorotynov A. M., Popkov S. I., Velikanov D. A.
Заглавие : Physical properties of a frustrated uasi-one-dimensional NaCuFe2(VO4)3 magnet and effect of chemical pressure induced by the substitution of sodium for lithium
Место публикации : Phys. Solid State. - 2020. - Vol. 62, Is. 2. - P.297-307. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783420020122
Примечания : Cited References: 22
Аннотация: The structural, thermal, static magnetic, and resonance properties of the low-dimensional NaCuFe2(VO4)3 compound obtained by the solid-phase synthesis have been investigated. In the temperature range of 110–300 K, the electron spin resonance in the X band with a g factor of 2.008 has been detected. The magnetic properties of a sample with a high frustration level in the paramagnetic, antiferromagnetic, and disordered states have been examined. A shift of the Neel temperature to the high-temperature region in an external magnetic field has been observed. The origin of the disordered magnetism in NaCuFe2(VO4)3 are discussed. The features of substitution of sodium for lithium on the physical properties of the ACuFe2(VO4)3 (A = Na, Li) system have been established. It is shown that the chemical pressure changes the crystal lattice parameters, spacings between magnetic ions, and crystallite size, which is reflected in the physical properties of the material.
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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shtarev D. S., Ryabchuk V. K., Rudakova A. V., Shtareva A. V., Molokeev M. S., Kirichenko E. A., Serpone N.
Заглавие : Phenomenological rule from correlations of conduction/valence band energies and bandgap energies in semiconductor photocatalysts: calcium bismuthates versus strontium bismuthates
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [19-73-10013]; Saint-Petersburg State University [39054581]
Место публикации : ChemCatChem. - 2020. - Vol. 12, Is. 6. - P.1551-1555. - ISSN 1867-3880, DOI 10.1002/cctc.201902236. - ISSN 1867-3899(eISSN)
Примечания : Cited References: 13. - The research was supported from a grant from the Russian Science Foundation (project No. 19-73-10013). We are very grateful to the staff of the Khabarovsk Innovation and Analytical Center of the Yu. A. Kosygin Institute of Tectonics and Geophysics FEB RAS, and of the Research Center on Nanophotonics and the Center for Physical Methods of Surface Investigation (to Dr. Alexandra Koroleva) of the Research Park at Saint-Petersburg State University for their valuable assistance in carrying out the research and in providing the needed equipment. VKR and AVR acknowledge financial support from a grant by the Saint-Petersburg State University (Pure ID 39054581). One of us (NS) thanks Prof. A. Albini and the staff of the PhotoGreen Laboratory of the University of Pavia for their continued hospitality
Предметные рубрики: STRUCTURAL-PROPERTIES
Аннотация: A number of calcium bismuthates were synthesized (25 to 50 mol% in Ca) and characterized by XRD, SEM, EDX, XPS and DRS techniques; the latter provided an estimate of the bandgap energies (Ebg=2.41 to 3.29 eV) via Tauc plots for indirect transitions, whereas XPS established the potentials (vs NHE) of their respective valence bands (and thus the conduction bands). Linear correlations existed between EVB/ECB and Ebg that when compared with those of strontium bismuthates (reported earlier) showed that differences in energies at Ebg=0 eV are related to the difference in the absolute electronegativities of Ca and Sr, from which the following empirical phenomenological rule is postulated: replacing one alkaline earth metal in bismuthates by another causes the points of intersection of the linear correlations ECB(Ebg) and EVB(Ebg) to be displaced by an amount equal to twice the difference in absolute electronegativities of these metals.
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Oreshonkov A. S., Roginskii E. M., Shestakov N. P., Gudim I. A., Temerov V. L., Nemtsev I. V., Molokeev M. S., Adichtchev S. V., Pugachev A. M., Denisenko Yu. G.
Заглавие : Structural, electronic and vibrational properties of YAl3(BO3)4
Место публикации : Materials. - 2020. - Vol. 13, Is. 3. - Ст.545. - ISSN 1996-1944 (eISSN), DOI 10.3390/ma13030545
Примечания : Cited References: 72. - This research was funded by Russian Foundation for Basic Research (18-03-00750, 18-05-00682 and 18-32-20011)The computations were performed using the facilities of the Computational Center of the Research Park of St. Petersburg State University. We are grateful to the Center of collective use of FRC KSC SB RAS for the provided equipment namely Bruker Vertex 70V, Emitech K575XD, Hitachi TM3000 and Bruker Smart ApexII. Some parts of the experiments were performed in the multiple-access center “High-Resolution Spectroscopy of Gases and Condensed Matter” in IA&E SBRAS (Novosibirsk, Russia). The experimental part corresponding to Raman measurements was supported by the Ministry of Education and Science of the Russian Federation, grant no AAAA-A17-117052410033-9. The authors thank A.M. Sysoev and V.M. Sventitsky for assistance with sample orientation
Аннотация: The crystal structure of YAl3(BO3)4 is obtained by Rietveld refinement analysis in the present study. The dynamical properties are studied both theoretically and experimentally. The experimental Raman and Infrared spectra are interpreted using the results of ab initio calculations within density functional theory. The phonon band gap in the Infrared spectrum is observed in both trigonal and hypothetical monoclinic structures of YAl3(BO3)4. The electronic band structure is studied theoretically, and the value of the band gap is obtained. It was found that the YAl3(BO3)4 is an indirect band gap dielectric material.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smirnova E. S., Alekseeva O. A., Dudka A. P., Khmelenin D. N., Frolov K. V., Lyubutina M. V., Gudim I. A., Lyubutin I. S.
Заглавие : Crystal structure and structural phase transition in bismuth-containing HoFe3(BO3)4 in the temperature range 11–500 K
Место публикации : Acta Crystallogr. B. - 2019. - Vol. 75. - P.954-968. - ISSN 20525192 (ISSN), DOI 10.1107/S2052520619010473
Примечания : Cited References: 37. - The authors are grateful to D. Yu. Chernyshov (SNBL, ESRF, Grenoble) for his assistance in obtaining the experimental data. This work was performed using the equipment of the Shared Research Center FSRC ‘Crystallography and Photonics’ RAS and was supported by the Russian Ministry of Education and Science (project RFMEFI62119X0035)This work was supported by the Ministry of Science and Higher Education within the State assignment FSRC ‘Crystallography and Photonics’ RAS and partially by the Russian Foundation for Basic Research (grant No. 17-02-00766)
Аннотация: An accurate single-crystal X-ray diffraction study of bismuth-containing HoFe3(BO3)4 between 11 and 500 K has revealed structural phase transition at Tstr = 365 K. The Bi atoms enter the composition from Bi2Mo3O12-based flux during crystal growth and significantly affect Tstr. The content of Bi was estimated by two independent methods, establishing the composition as (Ho0.96Bi0.04)Fe3(BO3)4. In the low-temperature (LT) phase below Tstr the (Ho0.96Bi0.04)Fe3(BO3)4 crystal symmetry is trigonal, of space group P3121, whereas at high temperature (HT) above 365 K the symmetry increases to space group R32. There is a sharp jump of oxygen O1 (LT) and O2 (LT) atomic displacement parameters (ADP) at Tstr. O1 and O2 ADP ellipsoids are the most elongated over 90–500 K. In space group R32 specific distances decrease steadily or do not change with decreasing temperature. In space group P3121 the distortion of the polyhedra Ho(Bi)O6, Fe1O6 and Fe2O6, B2O3 and B3O3 increases with decreasing temperature, whereas the triangles B1O3 remain almost equilateral. All BO3 triangles deviate from the ab plane with decreasing temperature. Fe–Fe distances in Fe1 chains decrease, while distances in Fe2 chains increase with decreasing temperature. The Mössbauer study confirms that the FeO6 octahedra undergo complex dynamic distortions. However, all observed distortions are rather small, and the general change in symmetry during the structural phase transition has very little influence on the local environment of iron in oxygen octahedra. The Mössbauer spectra do not distinguish two structurally different Fe1 and Fe2 positions in the LT phase. The characteristic temperatures of cation thermal vibrations were calculated using X-ray diffraction and Mössbauer data.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Crystal Structure of Three Ionic Compounds of Levofloxacin
Место публикации : J. Struct. Chem. - 2019. - Vol. 60, Is. 12. - P.1959-1964. - ISSN 00224766 (ISSN), DOI 10.1134/S0022476619120114
Примечания : Cited References: 13. - The work was performed within the State Task of the Ministry of Education and Science of the Russian Federation to the Siberian Federal University for 2017-2019 (4.7666.2017/BCh)
Аннотация: The structures of three ionic compounds of levofloxacin (LevoH or Ci18H20FN3O4) − LevoH3[CoCl4]-H2O (I), LevoH3[ZnBr4]·H2O (II), LevoH3[CuBr4]-H2O·(III) are determined. The crystals of I-III are monoclinic; in compound III, the particles are packed so that the direction of the screw axis does not coincide with the largest unit cell parameter. The asymmetric unit of the unit cell contains two LevoH32+ and CoCl42− ions and two crystallization water molecules in I; two LevoH32+ and MBr42− (M = Cu, Zn) ions and two crystallization water molecules in II and III. The absolute structure of the crystals and the configuration of the chiral center of the levofloxacinium cation S are determined. The structures are stabilized by multiple hydrogen bonds, X−Y π and π-π interactions.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Knyazev Yu. V., Tarasov A. S., Platunov M. S., Trigub A. L., Bayukov O. A., Boronin A. I., Solovyov L. A., Rabchevskii E. V., Shishkina N. N., Anshits A. G.
Заглавие : Structural and electron transport properties of CaFe2O4 synthesized in air and in helium atmosphere
Место публикации : J. Alloys Compd. - 2020. - Vol. 820. - Ст.153073. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2019.153073. - ISSN 1873-4669 (eISSN)
Примечания : Cited References: 37. - The reported study was partially supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science (grant #18-42-243011) and the UMNIK Program.
Аннотация: The samples with the CaFe2O4-type crystal structure were obtained by the solid-state reaction method at 1000 °C in the air and the helium atmosphere for the first time. We investigated the modification of the structural and electronic properties of the obtained samples. Mössbauer, XAFS-, XPS-spectroscopies, and dc-, ac-conductivity measurements were carried out. Mössbauer and XAFS-spectroscopies showed that the local environment of Fe and Ca cations does not change in the case of the inert atmosphere synthesis. Nevertheless, a sharp six-order increase in the electrical resistance observed at room temperature for the sample obtained in the in the helium atmosphere. Moreover, calculated from dc-conductivity data activation energy rises from 0.327 for the air-synthesized sample to 0.585 eV for helium-obtained one. This behavior indicates significant modification of in-band-gap energy structure, which correlated with thermally activated charge carriers. Our ac-conductivity measurements in the frequency range of 1 kHz–2 MHz for the CaFe2O4 obtained in the air showed the presence of defect levels in the energy band structure. Oxygen pressure reduction during the synthesis results in levels vanishing. Therefore, we suppose the key role of oxygen atoms in the transport properties of the material, which is indirectly confirmed by XPS data. In prospect, CaFe2O4 can be used in promising gas analyzers.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhang H., Liu S., Nelson C. S., Bezmaternykh L. N., Chen Y. -S., Wang S. G., Lobo R. P.S.M., Page K., Matsuda M., Pajerowski D. M., Williams T. J., Tyson T. A.
Заглавие : Structural features associated with multiferroic behavior in the RX3(BO3)4 system
Место публикации : J. Phys. Condens. Matter. - 2019. - Vol. 31, Is. 50. - Ст.505704. - ISSN 09538984 (ISSN), DOI 10.1088/1361-648X/ab415f
Примечания : Cited References: 38
Аннотация: The magnetoelectric effect in the RX3(BO3)4 system (R = Ho, Eu, Sm, Nd, Gd; X = Fe, Al) varies significantly with the cation R despite very similar structural arrangements. Our structural studies reveal a symmetry reducing tilting of the BO3 planes and of the FeO6 polyhedra in the systems exhibiting low magnetic field induced electric polarization. Neutron scattering measurements reveal a lack of magnetic ordering indicating the primary importance of the atomic structure in the multiferroic behavior of this system.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tambasov I. A., Volochaev M. N., Voronin A. S., Evsevskaya N. P., Masyugin A. N., Aleksandrovskii A. S., Smolyarova T. E., Nemtsev I. V., Lyashchenko S. A., Bondarenko G. N., Tambasova E. V.
Заглавие : Structural, Optical, and Thermoelectric Properties of the ZnO:Al Films Synthesized by Atomic Layer Deposition
Место публикации : Phys. Solid State. - 2019. - Vol. 61, Is. 10. - P.1904-1909. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783419100354
Примечания : Cited References: 33. - This study was supported by the Russian Science Foundation, project no. 17-72-10079.
Аннотация: Aluminum-doped zinc oxide thin films have been grown by atomic layer deposition at a temperature of 200°C. Using X-ray diffraction, it has been established that the ZnO:Al thin films exhibits the reflections from the (100), (002), (110), and (201) ZnO hexagonal phase planes. The (101) and (102) planes have also been detected by electron diffraction. The ZnO:Al thin films grow smooth with a root-mean-square roughness of Rq = 0.33 nm and characteristic nanocrystallite sizes of ~70 and ~15 nm without additional aluminum or aluminum oxide phases. The transmission at a wavelength of 550 nm with regard to the substrate has been found to be 96%. The refractive indices and absorption coefficients of the ZnO:Al thin films in the wavelength range of 250–900 nm have been determined. The maximum refractive indices and absorption coefficients have been found to be 2.09 at a wavelength of 335 nm and 0.39 at a wavelength of 295 nm, respectively. The optical band gap is 3.56 eV. The resistivity, Seebeck coefficient, and power factor of the ZnO:Al thin films are ∼1.02 × 10–3 Ω cm, –60 μV/K, and 340 μW m–1 K–2 at room temperature, respectively. The maximum power factor attains 620 μW m–1 K–2 at a temperature of 200°C.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Parshin A. M.
Заглавие : Structural stability of nematic liquid crystal droplets in the light of the catastrophe theory
Место публикации : Mod. Phys. Lett. B. - 2019. - Vol. 33, Is. 34. - Ст.1950434. - ISSN 0217-9849, DOI 10.1142/S0217984919504347. - ISSN 1793-6640 (eISSN)
Примечания : Cited References: 25. - The work was supported in part by the Siberian Branch of the Russian Academy of Sciences, integration Project No. 356-2018-0058.
Аннотация: Dynamical systems and defects in liquid crystals (LCs) are described using topological methods. Meanwhile, the director field distribution in LC droplets is affected by many bulk and surface factors that are difficult to take into account in the topological analysis. Therefore, the structural instability of a LC droplet formed in a magnetic field has been investigated by us in the framework of the catastrophe theory. The effect of temperature on the control parameters of the cusp catastrophe, which leads to the transition from a bipolar structure with extended poles to the homogeneous or radial configuration, has been estimated. It has been established from the potential curves that the transition is induced by the variation in the LC director orientation between the potential minima related to the LC polymer anchoring energy and magnetic field. The interplay of the cusp catastrophe control parameters and anchoring parameters has been elucidated.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gnezdilov V., Pashkevich Y., Kurnosov V., Zhuravlev O. V., Wulferding D., Lemmens P., Kazak N. V., Knyazev Yu. V., Ovchinnikov S. G.
Заглавие : Magnetic and structural correlations in the warwickite Mn2OBO3
Место публикации : Low Temp. Phys. - 2019. - Vol. 45, Is. 9. - P.1046-1053. - ISSN 1063777X (ISSN) , DOI 10.1063/1.5121280
Примечания : Cited References: 28
Аннотация: We report a Raman scattering study of single-crystalline homometallic oxyborate Mn2OBO3, a compound realizing a one-dimensional ribbon-structure. Phonon excitations as a function of temperature and light polarization are compared to lattice dynamical calculations, giving evidence for a strong coupling between lattice and magnetic degrees of freedom. Furthermore, a broader feature with a distinct structure emerges at low temperatures. Based on our theoretical analysis, we assign this signal to specific two-magnon scattering processes related to high energy flat-band magnon branches.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Isaenko L. I., Korzhneva K. E., Khyzhun O. Y., Molokeev M. S., Goloshumova A. A., Tarasova A. Y.
Заглавие : Structural and X-ray spectroscopy studies of Pb1-xBax(NO3)2 solid solutions
Место публикации : J. Solid State Chem. - 2019. - Vol. 277. - P.786-792. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2019.07.047
Примечания : Cited References: 37. - This work was done on state assignment of IGM SB RAS, Ministry of Science and Higher Education of the Russian Federation and was supported by Russian Foundation for Basic Research (grant No. 18-32-00359).
Аннотация: Pb0.75(3)Ba0.25(3)(NO3)2, Pb0.68(3)Ba0.32(3)(NO3)2, Ba0.58(3)Pb0.42(3)(NO3)2, Ba0.81(3)Pb0.19(3)(NO3)2 crystals were grown for the first time when studying the Pb(NO3)2–Ba(NO3)2–H2O system. The crystals were grown in water solution with different relation of Pb(NO3)2 and Ba(NO3)2. It was found that series of solid solutions were formed by interaction of simple Pb(NO3)2 and Ba(NO3)2 compounds with a slow increase of volume and cell parameters from pure lead nitrate to pure barium nitrate. The crystal structure of all obtained Pb1-xBax(NO3)2 crystals belong to a cubic space group Pa-3. In these structures, Pb and Ba cations have the same coordination number 12, but different ionic radii (1.49 and 1.61 Å, respectively), anionic group is an equilateral triangle with O–O–O angle of 60° and O–O bond lengths ranging from 2.1305(8) to 2.2585(7) Å. The Pb2+ ion has a lone pair of electrons that are likely to be stereochemically active in these solid solutions leading to a significant amount of local disorder which explains the spread in the lattice parameters. The Pb1-xBax(NO3)2 solid solutions were characterized by X-ray photoelectron spectroscopy (XPS) by measuring the binding energies of the core-levels of constituting atoms and the shapes of the valence band. The XPS measurements indicate that the substitution of Pb for Ba does not cause changes in the charge states of the atoms constituting the Pb1-xBax(NO3)2 crystals. Matching the XPS valence-band spectra and the X-ray emission O Kα bands on a common energy scale indicates that the principal contributions of O 2p states occur at the top of the valence band of the crystals under study with also their substantial input in the upper and central portions of the band.
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