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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) : 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 (выпуск продолж. издания)
Шифр издания :
Автор(ы) : Tripathy A., Gautam K., Dey K., Ahad A., Gudim I. A., Sathe V. G., Shukla D. K.
Заглавие : Dielectric and Raman spectroscopy measurements across structural phase transition in multiferroic HoFe3(BO3)4 single crystal
Коллективы : International Conference on Advanced Materials
Место публикации : AIP Conf. Proc. - 2019. - Vol. 2162: International Conference on Advanced Materials, ICAM 2019. - Ст.020062. - , DOI 10.1063/1.5130272
Примечания : Cited References: 10. - DKS acknowledges support from the DST, New Delhi, India through the grant no INI/RUS/RFBR/P-269 (Indo Russian project). K.G. thanks, Council of Scientific and Industrial Research, New Delhi, India, for support in the form of SRF.
Аннотация: We report on findings in the HoFe3(BO3)4 single crystal across structural phase transition by the dielectric and Raman spectroscopic measurements. In most of the compounds of RFe3(BO3)4 (R=La-Lu) family low temperature P3121 structure is introduced through structural phase transition (from space group R32). Temperature dependent dielectric measurements on the HoFe3(BO3)4 crystal depicts a step like feature at the structural phase transition at ?366 K. The Raman spectroscopy study also confirms the structural transition around this temperature. A clear signature of structural transition is reflected in the Raman spectra, mainly in the frequency range (200-400 cm-1). Appearance of new Raman modes below the transition temperature also indicates that the transition is from a high symmetry phase to a low symmetry phase.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Lyubutin I. S., Gavriliuk A. G., Andryushin N. D., Pavlovskiy M. S., Zinenko V. I., Lyubutina M. V., Troyan I. A., Smirnova E. S.
Заглавие : Pressure-Induced Structural Transition to the Polar Phase in GdFe3(BO3)4
Место публикации : Cryst. Growth Des. - 2019. - Vol. 19, Is. 12. - P.6935-6944. - ISSN 15287483 (ISSN), DOI 10.1021/acs.cgd.9b00609
Примечания : Cited References: 39. - The authors express their deep gratitude to Prof. S. G. Ovchinnikov for initiating this work and fruitful discussions. These studies were performed with the support of the Ministry of Science and Higher Education within the State assignment FSRC "Crystallography and Photonics" RAS in part for the synchrotron Mössbauer measurements. Support from RFBR Grant No. 17-02-00766 in part for the Raman spectroscopy measurements and from No. 18-02-00696 in part for the theoretical calculations is also acknowledged. For preparation and tests of high-pressure cells, (39) the facilities of Center for Collective Use “Accelerator Center for Neutron Research of the Structure of Substance and Nuclear Medicine” of the INR RAS were used.
Аннотация: The GdFe3(BO3)4 crystal has attracted great interest as a magnetic-field-induced multiferroic. In this paper, we show that the multiferroic properties in this crystal can be induced by high pressure. At high pressures up to 50 GPa, created in diamond anvil cells, the structural and vibrational (phonon) properties of the GdFe3(BO3)4 crystal were studied. The structural phase transition was detected at about 23–25 GPa by Raman and synchrotron Mössbauer (NFS) spectroscopy. First-principle calculations of the crystal lattice dynamics at pressures below and above the structural transition were carried out. It was established that at pressures above the structural transition, the space group R32 of GdFe3(BO3)4 is changed to the polar space group R3, and the crystal becomes a ferroelectric. At the R32 → R3 transition, the displacement of the boron ion B(2) and oxygen O results in the formation of boron–oxygen B(2)O4 tetrahedrons instead of the plane BO3 triangles. Meanwhile, the triangle oxygen environment of boron in the site B(1) remains unchanged. The nearest environment of the gadolinium ion also changes significantly. Instead of six oxygen ions in the R32 phase, the nearest surroundings of Gd in the R3 phase consist of nine oxygen ions forming a complex polyhedron. A large hysteresis of the transition indicates that this crystal remains a ferroelectric with a decrease in pressure to about ambient pressure.
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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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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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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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10.

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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11.

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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12.

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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13.

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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14.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
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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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pavlovskii M. S., Andryushin N. D.
Заглавие : Calculating the Lattice Dynamics in the RFe3(BO3)4 Crystals in the Quasi-Harmonic Approximation
Место публикации : Phys. Solid State. - 2019. - Vol. 61, Is. 11. - P.2019-2025. - ISSN 10637834 (ISSN), DOI 10.1134/S106378341911026X
Примечания : Cited References: 14. - This study was supported by the Russian Science Foundation, project no. 17-72-10122.
Аннотация: The frequencies of lattice vibrations in the RFe3(BO3)4 (R = Pr, Nd, Tb, Dy, or Ho) crystals in the high-temperature R32 phase and their temperature dependence have been calculated using the quasi-harmonic approximation. It has been found that, at the boundary point Λ of the Brillouin zone, the frequency of the unstable vibration mode the structural phase transition R32 → P3121 is related to strong changes with temperature in the TbFe3(BO3)4, DyFe3(BO3)4, and HoFe3(BO3)4 crystals. With increasing temperature, the frequency of the soft mode stabilizes and takes a real value. No significant changes in the phonon spectra, including the boundary point Λ, with increasing temperature for the PrFe3(BO3)4 and NdFe3(BO3)4 crystals have been observed.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gnezdilov V., Pashkevich Yu., 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 : Физ. низких температур. - 2019. - Т. 45, Вып. 9: Спеціальний випуск (Частина II) До 100-річчя з дня народження Б.І. Вєркіна. - С.1223-1230. - ISSN 01326414 (ISSN); Fiz. Nizk. Temp.
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.Досліджено раманівське розсіювання в монокристалі гомометалічного оксиборату Mn2OBO3 — сполуки, в якій реалізується одномірна стрічкова структура. Температурна та поляризаційна залежності фононних збуджень у порівнянні з розрахунками динаміки ґратки свідчать про сильний зв’язок між ґратковими та магнітними ступенями свободи. Широка спектральна особливість з виразною структурою виникає, крім того, при низьких температурах. Ґрунтуючись на теоретичному аналізі, цей сигнал віднесено до специфічних процесів двомагнонного розсіювання, що пов’язаний з високо-енергетичними магнонними вітками з «плоскою» дисперсією.Исследовано рамановское рассеяние в монокристалле гомометаллического оксибората Mn2OBO3 — соединения, в котором реализуется одномерная ленточная структура. Температурная и поляризационная зависимость фононных возбуждений в сравнении с расчетами динамики решетки свидетельствуют о сильной связи между решеточными и магнитными степенями свободы. Широкая спектральная особенность с отчетливой структурой возникает, кроме того, при низких температурах. Основываясь на теоретическом анализе, этот сигнал отнесен к специфическим процессам двухмагнонного рассеяния, связанным с высокоэнергетическими магнонными ветвями с «плоской» дисперсией.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Софронова, Светлана Николаевна, Мошкина, Евгения Михайловна, Казак, Наталья Валерьевна, Бельская, Надежда Алексеевна, Соловьев, Леонид Александрович, Безматерных, Леонард Николаевич
Заглавие : Раствор-расплавный синтез и структурные свойства твердых растворов Mn2-xMgxBO4
Место публикации : Фундамент. пробл. совр. материаловед. - 2019. - Т. 16, № 1. - С. 36-40. - ISSN 1811-1416, DOI 10.25712/ASTU.1811-1416.2019.01.005
Примечания : Библиогр.: 13. - Исследование выполнено при финансовой поддержке Российского фонда фундаментальных исследований, Правительства Красноярского края, Красноярского краевого фонда науки в рамках научного проекта № 18-42-243007.
Аннотация: Исследуемые в данной работе твердые растворы со структурой варвикита представляют значительный интерес с фундаментальной точки зрения, поскольку данные объекты относятся к квази-низкоразмерным магнетикам. В структуре варвикита четыре октаэдра, объединяясь общими гранями, формируют ряд, ряды объединяются в ленты, распространяющиеся вдоль короткой оси. Общая формула соединений со структурой варвикита M2+M3+BO4. В структуре варвикита разновалентные металлические ионы занимают две кристаллографически неэквивалентные октаэдрические позиции 4е: М1 и М2. Марганцевый варвикит Mn2BO4 демонстрирует зарядовое упорядочение: позиция М1 занята ионами Mn3+, позиция M2- ионами Mn2+ . Особый интерес представляет система твердых растворов с замещением в двухвалентной подсистеме на немагнитный ион и сохранением ян-теллеровских ионов Mn3+ в трехвалентной подсистеме. С использованием раствор-расплавного синтеза были получены монокристаллы твердых растворов оксиборатов Mn2-xMgxBO4 (x = 0.91, 1.00, 1.10, 1.14, 1.20) со структурой природного минерала варвикита. Структура и параметры решетки полученных образцов были определены с помощью метода порошкового рентгеноструктурного анализа. Сравнение структурных данных полученных образцов и известных составов позволяет предположить, что концентрации магния для всех синтезированных образцов значительно меньше концентраций «по закладке». При увеличении концентрации магния параметры решетки плавно уменьшаются. При максимальных значениях концентрации магния наблюдается изменение угла моноклинности, хотя структура остается в варвикитной фазе. Вероятно, концентрация хс ≈ 0.76 является критической для стабилизации варвикитной фазы, при дальнейшем увеличении концентрации Mg происходит переход на фазу такеучит или людвигит.Solid solutions with the warwickite structure which investigated in this paper are very interesting object from fundamental point of view, because they belong to a quasi-low dimensional magnetic. There are four octahedra in the warwickite structure which form row. The rows form the ribbon along short axis. The general formula of warwickite is M2+M3+BO4. Multivalent metallic ions sit in two crystallographic positions 4e:M1 and M2. Mn2BO4 warwickite shown the charge ordering: Mn3+ ions sit in M1 position, Mn2+ ions sit in M2 position. The most interesting systems are solid solutions where divalent ions are replaced by nonmagnetic ions, but the Jahn-Teller Mn3+ ions stay in solid solutions. Solid solutions of oxyborates Mn2-xMgxBO4 (x = 0.91, 1.00, 1.10, 1.14, 1.20) with the warwickite structure were grown using the flux technique. The structure and lattice parameters were studied by the powder X-ray diffraction analysis. Comparison of the structural data of the obtained and known samples implies that the magnesium concentration of all the obtained samples is lower than the magnesium concentration in the flux. When the magnesium concentration increases the lattice parameters decrease slowly. The monoclinic angle changes at the maxima of the magnesium concentration, but the structure still is in wsrwickite phase. The concentration хс ≈ 0.76 is assumed to be critical for stabilizing the warwickite phase. When the magnesium concentration increases, the structure transforms into other phases: takeuchite or ludwigite.
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18.

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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19.

Вид документа : Статья из журнала
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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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20.

Вид документа : Статья из журнала
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Автор(ы) : Dudnikov V. A., Kazak N. V., Orlov Yu. S., Vereshchagin S. N., Gavrilkin, S. Yu., Tsvetkov, A. Yu., Gorev M. V., Veligzhanin A. A., Trigub A. L., Troyanchuk I. O., Ovchinnikov S. G.
Заглавие : Structural, Magnetic, and Thermodynamic Properties of Ordered and Disordered Cobaltite Gd0.1Sr0.9CoO3 – δ
Коллективы : Russian Foundation for Basic Research [17-02-00826, 16-02-00507, 18-52-00017 Bel_a]; Russian Federation [SP-1844.2016.1]; Ministry of Education and Science of the Russian Federation [RFMEFI61917X0007]
Место публикации : J. Exp. Theor. Phys. - 2019. - Vol. 128, Is. 4. - P.630-640. - ISSN 1063-7761, DOI 10.1134/S1063776119020171. - ISSN 1090-6509(eISSN)
Примечания : Cited References: 27. - This work was supported by the Russian Foundation for Basic Research (grant nos. 17-02-00826, 16-02-00507, and 18-52-00017 Bel_a) and by the Council on Grants of the President of the Russian Federation (SP-1844.2016.1). X-ray spectra were recorded using the equipment of a unique scientific facility Kurchatov Synchrotron Radiation Source financed by the Ministry of Education and Science of the Russian Federation (project ID RFMEFI61917X0007).
Предметные рубрики: PROFILE REFINEMENT
PHASE-TRANSITION
OXYGEN SORPTION
PEROVSKITE
Аннотация: The effect of cationic and anionic orderings on the crystal structure and magnetic properties of substituted rare-earth cobaltites Gd0.1Sr0.9CoO3 – δ was studied using X-ray diffraction, measurement of XANES spectra, and magnetic and thermodynamic characteristics. The effects of ordering cause a decrease in symmetry to tetragonal and a distortion of the coordination octahedra of CoO6. Anomalous magnetic and thermodynamic quantities are observed at 260 and 360 K, respectively, for disordered and ordered samples. The XANES spectra measured at the CoK edge did not reveal a noticeable shift in the absorption edge compared with the spectrum of original GdCoO3. This suggests that the charge compensation process is associated not only with a change in the electronic state of cobalt ions, but also with the emergence of holes in the 2p states of oxygen.
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