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Синтез, кристаллическая структура, люминесценция и теплофизические свойства TbGaGe2O7 / Л. Т. Денисова, М. С. Молокеев, А. С. Крылов [и др.] // Физ. тверд. тела. - 2021. - Т. 63, Вып. 1. - С. 76-79, DOI 10.21883/FTT.2021.01.50401.190. - Библиогр.: 11. - Авторы выражают благодарность Красноярскому региональному центру коллективного пользования ФИЦ КНЦ СО РАН . - ISSN 0367-3294
Кл.слова (ненормированные):
галлий германат тербия -- твердофазный синтез -- кристаллическая структура -- люминесценция -- высокотемпературная теплоемкость -- термодинамические свойства
Аннотация: Твердофазным методом из исходных оксидов Tb2O3, Ga2O3 и GeO2 синтезирован германат TbGaGe2O7. С использованием рентгеновской дифракции определена его структура. При комнатной температуре измерены спектры люминесценции. Методом дифференциальной сканирующей калориметрии исследовано влияние температуры на теплоемкость оксидного соединения. По экспериментальным данным Cp=f(T) рассчитаны термодинамические свойства.

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Переводная версия Synthesis, crystal structure, luminescence, and thermophysical properties of TbGaGe2O7 [Текст] / L. T. Denisova, M. S. Molokeev, A. S. Krylov [et al.] // Phys. Solid State. - 2021. - Vol. 63 Is. 1.- P.75-78

Держатели документа:
Сибирский федеральный университет, Красноярск, Россия
Институт физики им. Л.В. Киренского Сибирского отделения Российской академии наук, Красноярск, Россия

Доп.точки доступа:
Денисова, Л. Т.; Молокеев, Максим Сергеевич; Molokeev, M. S.; Крылов, Александр Сергеевич; Krylov, A. S.; Александровский, Александр Сергеевич; Aleksandrovsky, A. S.; Иртюго, Л. А.; Белецкий, В. В.; Денисов, В. М.
}
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Synthesis, crystal structure, luminescence, and thermophysical properties of TbGaGe2O7 / L. T. Denisova, M. S. Molokeev, A. S. Krylov [et al.] // Phys. Solid State. - 2021. - Vol. 63, Is. 1. - P. 75-78, DOI 10.1134/S106378342101008X. - Cited References: 11. - We are grateful to the Krasnoyarsk Regional Center for Collective Use, Krasnoyarsk Scientific Center, Siberian Branch of the Russian Academy of Sciences . - ISSN 1063-7834
Кл.слова (ненормированные):
terbium gallogermanate -- solid-state synthesis -- crystal structure -- luminescence -- high-temperature specific heat -- thermodynamic properties
Аннотация: Germanate TbGaGe2O7 has been obtained from the initial Tb2O3, Ga2O3, and GeO2 oxides by the solid-phase synthesis. The germanate structure has been established by X-ray diffraction. Room-temperature luminescence spectra of the compound have been recorded. The effect of temperature on the heat capacity of the oxide compound has been investigated by differential scanning calorimetry. The thermodynamic properties of the compound have been calculated from the experimental Cp = f(T) data.

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Публикация на русском языке Синтез, кристаллическая структура, люминесценция и теплофизические свойства TbGaGe2O7 [Текст] / Л. Т. Денисова, М. С. Молокеев, А. С. Крылов [и др.] // Физ. тверд. тела. - 2021. - Т. 63 Вып. 1. - С. 76-79

Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Denisova, L. T.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Irtyugo, L. A.; Beletskii, V. V.; Denisov, V. M.
}
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Pseudo-anomalous size-dependent electron-phonon interaction in graded energy band: Solving the Fano paradox / M. Tanwar, D. K. Pathak, A. Chaudhary [et al.] // J. Phys. Chem. Lett. - 2021. - Vol. 12, Is. 8. - P. 2044-2051, DOI 10.1021/acs.jpclett.1c00217. - Cited References: 77 . - ISSN 1948-7185
Кл.слова (ненормированные):
Fano parameters -- Local variations -- Longitudinal variations -- Nanocrystallite size -- Quantum confinement effects -- Quantum size effects -- Raman line shapes -- Raman spectromicroscopy -- Electron-phonon interactions
Аннотация: Quantum size effects on interferons (electron-phonon bound states), confined in fractal silicon (Si) nanostructures (NSs), have been studied by using Raman spectromicroscopy. A paradoxical size dependence of Fano parameters, estimated from Raman spectra, has been observed as a consequence of longitudinal variation of nanocrystallite size along the Si wires leading to local variations in the dopants' density which actually starts governing the Fano coupling, thus liberating the interferons to exhibit the typical quantum size effect. These interferons are more dominated by the effective reduction in dopants' density rather than the quantum confinement effect. Detailed experimental and theoretical Raman line shape analyses have been performed to solve the paradox by establishing that the increasing size effect actually is accompanied by receding Fano coupling due to the weakened electronic continuum. The latter has been validated by observing a consequent variation in the Raman signal from dopants which was found to be consistent with the above conclusion.

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Держатели документа:
Materials and Device Laboratory, Discipline of Physics, Indian Institute of Technology Indore, Simrol, 453552, India
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institut fur Festkorperphysik, Leibniz Universitat Hannover, Appelstr. 2, Hannover, D-30167, Germany
Department of Materials Science and Engineering, Ajou University, Suwon, 16499, South Korea
Department of Energy Systems Research, Ajou University, Suwon, 16499, South Korea
Department of Materials Science and Engineering, Hanbat National University, Daejeon, 34158, South Korea
Centre for Advanced Electronics, Indian Institute of Technology Indore, Simrol, 453552, India

Доп.точки доступа:
Tanwar, M.; Pathak, D. K.; Chaudhary, A.; Krylov, A. S.; Крылов, Александр Сергеевич; Pfnur, H.; Sharma, A.; Ahn, B.; Lee, S.; Kumar, R.
}
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Synthesis, structure and photoluminescent properties of Eu:Gd2O3 nanophosphor synthesized by cw CO2 laser vaporization / A. I. Kostyukov, V. N. Snytnikov, V. N. Snytnikov [et al.] // J. Lumines. - 2021. - Vol. 235. - Ст. 118050, DOI 10.1016/j.jlumin.2021.118050. - Cited References: 42. - The TEM studies are conducted using the equipment of the Center of Collective Use « National Center of Catalyst Research». This work is financially supported by the Russian Foundation for Basic Research (RFBR), Project no. 19-32-60027 . - ISSN 0022-2313
Кл.слова (ненормированные):
Photoluminescence -- Eu3+ ions -- Monoclinic Gd2O3 -- Nanophosphors -- Laser vaporization
Аннотация: Europium doped Gd2O3 sphere-like nanoparticles with dm = 9.3 ± 3.5 nm were synthesized by cw CO2 laser vaporization technique in a flowing mixture of argon and oxygen. According to XRD data, the Eu:Gd2O3 nanoparticles crystallize in the monoclinic symmetry class (C2/m space group). High-resolution luminescence spectroscopy study showed that the ultra-narrow 5D0 → 7F0 transition of Eu3+ demonstrates only two peaks corresponding to two inequivalent Cs positions of Eu3+ ion in monoclinic Gd2O3 lattice that is explained by the peculiarities of local environment of Eu3+ ion at these sites. The hypersensitive transition 5D0 → 7F2 dominates in the spectrum and is expanded to the red part of the spectrum in comparison with cubic Eu:Gd2O3 due to intense transitions terminating at higher-lying components of the crystal-field-split 7F2 state. In the luminescence spectrum, an additional weak band with the maximum at 407 nm corresponding to the electronic transitions 4f65 d1(7FJ) → 4f7(8S7/2) of Eu2+ was detected. The obtained values of chromaticity coordinates and absolute quantum yield are (0.644; 0.325) and ca. 1%, respectively. The phase transformations have been investigated using differential scanning calorimetry and thermogravimetry (50–1400 °C). After annealing in air at 700 °C, the monoclinic symmetry class of the Eu:Gd2O3 nanoparticles is preserved and the particle size increases to dm = 17.8 ± 6.1 nm. After annealing, the chromaticity coordinates (0.659; 0.334) and absolute quantum yield (ca. 4%) can be obtained using red phosphor based on monoclinic Gd2O3:Eu3+. The lifetime of the excited 5D0 state of Eu3+ in the annealed nanoparticles is longer than that in the as-synthesized nanoparticles, due to the suppression of nonradiative decay after annealing.

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Держатели документа:
Novosibirsk State University, Pirogova Str. 2, Novosibirsk, 630090, Russian Federation
Boreskov Institute of Catalysis SB RAS, Lavrentieva Ave. 5, Novosibirsk, 630090, Russian Federation
Nikolaev Institute of Inorganic Chemistry SB RAS, Akad. Lavrentiev Ave. 3, Novosibirsk, 630090, Russian Federation
Institute of Laser Physics SB RAS, Lavrentyev Ave. 15b, Novosibirsk, 630090, Russian Federation
Novosibirsk State Technical University, K. Marx Ave. 20, Novosibirsk, 630073, Russian Federation
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Photonics and Laser Technology, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Kostyukov, A. I.; Snytnikov, V. N.; Rakhmanova, M. I.; Kostyukova, N. Y.; Ishchenko, A. V.; Cherepanova, S. V.; Krylov, A. S.; Крылов, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич
}
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    Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O / Y. G. Denisenko, A. E. Sedykh, M. S. Molokeev [et al.] // J. Solid State Chem. - 2021. - Vol. 294. - Ст. 121898, DOI 10.1016/j.jssc.2020.121898. - Cited References: 54. - This work was partially supported by the Russian Foundation for Basic Research (Grant 19-33-90258∖19 ). Use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center « Krasnoyarsk Science Center SB RAS» is acknowledged . - ISSN 0022-4596
   Перевод заглавия: Кристаллическая и электронная структура, термохимические и фотофизические свойства моногидрата сульфата европия-серебра AgEu(SO4)2·H2O
Кл.слова (ненормированные):
Structure -- Thermochemistry -- Luminescence -- Sulfates -- Europium
Аннотация: In order to synthesize single crystals of europium-silver double sulfate monohydrate, a hydrothermal reaction route was used. It was found that the crystallization cannot be performed under standard conditions. The compound AgEu(SO4)2·H2O crystallizes in the trigonal crystal system, space group P3221 (a = 6.917(1), c = 12.996(2) Å, V = 538.53(17) Å3). The structure consists of triple-capped trigonal prisms [EuO9], in which one oxygen atom belongs to crystalline water, silver octahedra [AgO6], and sulfate tetrahedra [SO4]. The hydrogen bonds in the system additionally stabilize the structure. The electronic band structure wasstudied by density functional theory calculations which show that AgEu(SO4)2·H2O is an indirect band gap dielectric. Temperature dependent photoluminescence spectroscopy shows emission bands of transitions from the 5D0 state to the spin-orbit components of the 7FJmultiplet (J = 0–6).The ultranarrow transition 5D0 - 7F0 shows a red shift with respect to other europium-containing water-free sulfates that is ascribed to the presence of OH group in the crystal structure in the close vicinity of the Eu3+ ion. An effect of abnormal sensitivity of the Ω4 intensity factor to minor distortions of the local environment is detected for the observed low local symmetry of C2.

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Держатели документа:
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University of Giessen, Giessen35392, Germany
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Center for Materials Research (LaMa), Justus-Liebig-University of Giessen, Giessen35392, Germany
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Komissarov Department of General Chemistry, Northen Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; Sedykh, A. E.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Khritokhin, N. A.; Sal'nikova, E. I.; Andreev, O. V.; Muller-Buschbaum, K.
}
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Втюрин, Александр Николаевич.

    Ангармонизм и локальные нецентросимметричные области в прессованном порошке BaTiO3 / А. М. Пугачев, И. В. Зайцева, Н. В. Суровцев, А. С. Крылов // Международная онлайн-конференция "Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества" (СЭ-100) : сб. тезисов / чл. прогр. ком. А. Н. Втюрин. - 2020. - Ст. С32. - С. 99 . - ISBN 978-5-9500624-3-8
   Перевод заглавия: Anharmonicity and local noncentrosymmetric regions in BaTiO3 pressed powder studied by the Raman line temperature dependence

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Втюрин, Александр Николаевич \чл. прогр. ком.\; Vtyurin, A. N.; Пугачев, А. М.; Зайцева, И. В.; Суровцев, Николай Владимирович; Крылов, Александр Сергеевич; Krylov, A. S.; Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества, международная онлайн-конференция(2020 ; 14-19 сент. ; Екатеринбург); Уральский Федеральный университет им. Первого Президента России Б.Н. Ельцина
}
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Tailoring adsorption induced switchability of a pillared layer MOF by crystal size engineering / L. Abylgazina, I. Senkovska, S. Ehrling [et al.] // CrystEngComm. - 2021. - Vol. 23, Is. 3. - P. 538-549, DOI 10.1039/d0ce01497d. - Cited References: 71. - The authors thank the DFG (FOR 2433 MOF Switches, Project No. 279409724) for financial support. P.P. and J. D. E. thank Center for Information Services and High Performance Computing (ZIH) at TU Dresden for providing high-performance computing facilities. Authors acknowledge Helmholtz-Zentrum Berlin für Materialien und Energie for allocated beamtime at KMC-2 and MX14.2 beamlines. J. D. E. acknowledges the support of the Alexander von Humboldt foundation and HPC platforms provided by a GENCI grant (A0070807069) . - ISSN 1466-8033
Кл.слова (ненормированные):
Adsorption -- Crystals -- Dichloromethane -- Hinges -- Nickel metallography -- Particle size -- Zinc metallography
Аннотация: The pillared layer framework DUT-8(Zn) (Zn2(2,6-ndc)2(dabco), 2,6-ndc = 2,6-naphthalenedicarboxylate, dabco = 1,4-diazabicyclo-[2.2.2]-octane, DUT = Dresden University of Technology) is a prototypical switchable MOF, showing characteristic adsorption and desorption induced open phase (op) to closed phase (cp) transformation associated with huge changes in cell volume. We demonstrate switchability strongly depends on a framework-specific critical particle size (dcrit). Superposed, the solvent removal process (pore desolvation stress contracting the framework) significantly controls the cp/op ratio after desolvation and, subsequently, the adsorption induced switchability characteristics of the system. After desolvation, the dense cp phase of DUT-8(Zn) shows no adsorption-induced reopening and therefore is non-porous for N2 at 77 K and CO2 at 195 K. However, polar molecules with a higher adsorption enthalpy, such as chloromethane at 249 K and dichloromethane (DCM) at 298 K can reopen the macro-sized crystals upon adsorption. For macro-sized particles, the outer surface energy is negligible and only the type of metal (Zn, Co, Ni) controls the DCM-induced gate opening pressure. The node hinge stiffness increases from Zn to Ni as confirmed by DFT calculations, X-ray crystal structural analysis, and low frequency Raman spectroscopy. This softer Zn-based node hinges and overall increased stabilization of cp vs. op phase shift the critical particle size at which switchability starts to become suppressed to even lower values (dcrit ‹ 200 nm) as compared to the Ni-based system (dcrit ≈ 500 nm). Hence, the three factors affecting switchability (energetics of the empty host, (Eop–Ecp) (I), particle size (II), and desolvation stress (III)) appear to be of the same order of magnitude and should be considered collectively, not individually.

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Department of Inorganic Chemistry i, Technische Universitat Dresden, Bergstrasse 66, Dresden, 01069, Germany
Faculty of Chemistry and Pharmacy, University of Sofia, Sofia, 1126, Bulgaria
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Abylgazina, L.; Senkovska, I.; Ehrling, S.; Bon, V.; St. Petkov, P.; Evans, J. D.; Krylova, S. N.; Крылова, Светлана Николаевна; Krylov, A. S.; Крылов, Александр Сергеевич; Kaskel, S.
}
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    Synthesis, structure, and properties of EuScCuS3 and SrScCuS3 / A. V. Ruseikina, M. S. Molokeev, V. А. Chernyshev [et al.] // J. Solid State Chem. - 2021. - Vol. 296. - Ст. 121926, DOI 10.1016/j.jssc.2020.121926. - Cited References: 72. - The work was supported by the Ministry of Science and Higher Education of the Russian Federation under Project No. FEUZ-2020-0054; by RFBR Grant 18-02-00754 ; by the “UMNIK” program research project № 14977GY/2019; by the Ministry of Science and Higher Education of the Russian Federation (contract no. 05.594.21.0019 , unique identification number RFMEFI59420X0019). Maxim S. Molokeev, Anton S. Tarasov and Mikhail V. Rautskii acknowledge additional funding from Research Grant No. 075-15-2019-1886 from the Government of the Russian Federation. The subset research was performed in Research Resource Center “Natural Resource Management and Physico-Chemical Research.” The use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center « Krasnoyarsk Science Center SB RAS» is acknowledged . - ISSN 0022-4596
   Перевод заглавия: Синтез, строение и свойства EuScCuS3 и SrScCuS3
Кл.слова (ненормированные):
Inorganic materials -- Thermochemistry -- Raman spectroscopy -- Magnetic measurements -- Optical spectroscopy -- X-ray diffraction -- Ab initio calculations
Аннотация: The crystal structures of the first-synthesized compound EuScCuS3 and previously known SrScCuS3 are refined by Rietveld analysis of X-ray powder diffraction data. The structures are found to belong to orthorhombic crystal system, space group Cmcm, structural type KZrCuS3, with a = 3.83413(3) Å, b = 12.8625(1) Å, c = 9.72654(8) Å (SrScCuS3) and a = 3.83066(8) Å, b = 12.7721(3) Å, c = 9.7297(2) Å (EuScCuS3). The temperatures and enthalpies of incongruent melting are the following: Тm = 1524.5 К, ΔHm = 21.6 kJ•mol−1 (SrScCuS3), and Тm = 1531.6 К, ΔHm = 26.1 kJ•mol−1 (EuScCuS3). Ab initio calculations of the crystal structure and phonon spectrum of the compounds were performed. The types and wavenumbers of fundamental modes were determined and the involvement of ions participating in the IR and Raman modes was assessed. The experimental IR and Raman spectra were interpreted. EuScCuS3 manifests a ferromagnetic transition at 6.4 K. The SrScCuS3 compound is diamagnetic. The optical band gaps were found to be 1.63 eV (EuScCuS3) and 2.24 eV (SrScCuS3) from the diffuse reflectance spectra. The latter value is in good agreement with that calculated by the DFT method. The narrower band gap of EuScCuS3 is explained by the presence of 4f-5d transition in Eu2+ ion that indicates a possibility to control the band gap of the chalcogenides by the inclusion of Eu. The activation energy of crystal structure defects, being the source of additional absorption in the NIR spectral range, was found to be 0.29 eV.

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Держатели документа:
Institute of Chemistry, University of Tyumen, Tyumen, 625003, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660079, Russian Federation
Institute of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, 620002, Russian Federation
Institute of Chemistry and Chemical Technology, Federal Research Center KSC SB RAS, Krasnoyarsk, 660049, Russian Federation
Institute of Physics and Technology, University of Tyumen, Tyumen, 625003, Russian Federation
Engineering Centre of Composite Materials Based on Tungsten Compounds and Rare-earth Elements, University of Tyumen, Tyumen, 625003, Russian Federation
University of Tyumen, Tyumen, 625003, Russian Federation

Доп.точки доступа:
Ruseikina, A. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Chernyshev, V. А.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Grigoriev, M. V.; Maximov, N. G.; Shestakov, N. P.; Шестаков, Николай Петрович; Garmonov, A. A.; Matigorov, A. V.; Tarasov, A. S.; Тарасов, Антон Сергеевич; Rautskii, M. V.; Рауцкий, Михаил Владимирович; Khritokhin, N. А.; Melnikova, L. V.; Tretyakov, N. Y.
}
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Dynamical immiscibility of aqueous carbonate fluid in the shortite-water system at high-pressure-temperature conditions / S. V. Goryainov, S. N. Krylova, U. O. Borodina, A. S. Krylov // J. Phys. Chem. C. - 2021. - Vol. 125, Is. 33. - P. 18501-18509, DOI 10.1021/acs.jpcc.1c05077. - Cited References: 47. - The reported study was funded by the RFBR and DFG, project number 21-52-12018. Work is done on the state assignment of the Sobolev Institute of Geology and Mineralogy, Kirensky Institute of Physics SB RAS, Equipment of Federal Research Center of Krasnoyarsk Science Center SB RAS, and supported by the Ministry of Science and Higher Education. Authors thank A.N. Vtyurin, A.G. Sokol, A.Yu. Likhacheva, and A.F. Shatskiy for fruitful discussion . - ISSN 1932-7447. - ISSN 1932-7455

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
SIMULTANEOUSLY HIGH-PRESSURE
SODIUM FORMATE
RAMAN-SPECTRA
Аннотация: Anhydrous carbonate shortite, Na2Ca2(CO3)3, compressed in water at high pressure–temperature (up to 5 GPa, 350 °C) was studied by Raman spectroscopy. At 3.2 GPa and 250 °C, shortite begins to dissolve, followed by crystallization of aragonite and aragonite’. The unusual behavior of aqueous carbonate fluid was observed at 4.8 GPa and 300–350 °C. This process is characterized by the active formation of microbubbles within 2–60 s that are inserted one into another. Microbubbles are considered to be a result of the two immiscible fluid stratification. This dynamical immiscibility of the fluid accompanies the appearance of several crystalline carbonates and organic molecular crystals. Na-formate and some polymorphs of Ca-formate were observed.

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Держатели документа:
Sobolev Inst Geol & Mineral SB RAS, Novosibirsk 630090, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Goryainov, Sergey, V; Krylova, S. N.; Крылова, Светлана Николаевна; Borodina, Ulyana O.; Krylov, A. S.; Крылов, Александр Сергеевич; RFBRRussian Foundation for Basic Research (RFBR); DFGGerman Research Foundation (DFG)European Commission [21-52-12018]; Ministry of Science and Higher EducationMinistry of Science and Higher Education, PolandEuropean Commission
}
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10.

The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides / I. Yushina, A. Krylov, I. I. Leonidov [et al.] // Acta Crystallogr. B. - 2021. - Vol. 77. - P. 526-536, DOI 10.1107/S2052520621004571. - Cited References: 61. - This work was supported by the Ministry of Science and High Education of Russian Federation, project FENU 2020-0019. Additional spectroscopic studies were carried out in ISSC UB RAS (Research Program No. AAAA-A19-119031890025-9). Technical assistance from Ivan D. Popov (ISSC UB RAS) is strongly acknowledged. ChemMatCARS Sector 15 is principally supported by the Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation, under grant number NSF/CHE-1346572. Use of the Advanced Photon Source, an Office of Science User Facility operated for the US Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the US DOE under Contract No. DE-AC02-06CH11357 . - ISSN 2052-5206

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
LARGE STOKES SHIFT
   D-PI-A
   HALOGEN BONDS
   ELECTRON LOCALIZATION
Кл.слова (ненормированные):
organic monoiodide -- phase transition -- Raman spectroscopy -- luminescence -- halogen bond
Аннотация: Crystalline chalcogenazinoquinolinium monoiodides, where the chalcogen atom is oxygen and sulfur, were studied using a combination of X-ray diffraction, Raman and UV-vis spectroscopies and photoluminescence experimental techniques. Periodic quantum-chemical calculations were performed to characterize the features of electronic structure and vibrational assignment. X-ray diffraction and Raman spectroscopy experiments consistently reveal phase transition of thiazinoquinolinium monoiodide at low temperatures with the decrease of symmetry to P1. The luminescence study for oxazinoquinolinium monoiodide reveals the excitation maximum at 532 nm and emission at 650 nm with significantly higher intensity than for the thiazinoquinolinium derivative. The studied chalcogenazinoquinolinium monoiodides demonstrate high values of Stokes shift up to 150 nm.

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Держатели документа:
South Ural State Univ, Lab Multiscale Modelling, Chelyabinsk 454080, Russia.
Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia.
Inst Solid State Chem UB RAS, Ekaterinburg 620990, Russia.
Univ Chicago, Chicago, IL 60637 USA.
AN Nesmeyanov Inst Organoelement Cpds RAS, Moscow 11991, Russia.

Доп.точки доступа:
Yushina, Irina; Krylov, A. S.; Крылов, Александр Сергеевич; Leonidov, Ivan I.; Batalov, Vladimir; Chen, Yu-Sheng; Wang, Suyin Grass; Stash, Adam; Bartashevich, E. V.; Ministry of Science and High Education of Russian Federation [FENU 2020-0019]; ISSC UB RAS [AAAA-A19-119031890025-9]; Divisions of Chemistry (CHE) and Materials Research (DMR), National Science Foundation [NSF/CHE-1346572]; US DOEUnited States Department of Energy (DOE) [DE-AC02-06CH11357]
}
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11.

КР и ИК спектроскопия тригональных и моноклинных боратов ReAl3(BO3)4 / А. С. Орешонков, Н. П. Шестаков, М. С. Молокеев [и др.] // 7-й Урало-сибирский семинар "Спектроскопия комбинационного рассеяния света" : материалы семинара / прогр. ком. В. Ф. Шабанов, прогр. ком. А. Н. Втюрин, прогр. ком., ред. А. С. Крылов, орг. ком. С. Н. Крылова и др. - 2021. - секция 2: Комбинационное рассеяние в кристаллах. - С. 51-52. - Библиогр.: 8 . - ISBN 978-5-94332-125-2

Материалы конференции,
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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Шабанов, Василий Филиппович \прогр. ком.\; Shabanov, V. F.; Втюрин, Александр Николаевич \прогр. ком.\; Vtyurin, A. N.; Крылов, Александр Сергеевич \прогр. ком., ред.\; Krylov, A. S.; Крылова, Светлана Николаевна \орг. ком.\; Krylova, S. N.; Орешонков, Александр Сергеевич; Oreshonkov, A. S.; Шестаков, Николай Петрович; Shestakov, N. P.; Молокеев, Максим Сергеевич; Molokeev, M. S.; Рогинский, Евгений Михайлович; Roginsky E.M.; Адищев, С. В.; Пугачев, А. М.; Гудим, Ирина Анатольевна; Gudim, I. A.; Темеров, Владислав Леонидович; Temerov, V. L.; Чимитова, О. Д.; "Спектроскопия комбинационного рассеяния света", Урало-сибирский семинар(7 ; 2021 ; 23-25 авг. ; Екатеринбург); Урало-сибирский семинар по спектроскопии комбинационного рассеяния света(7 ; 2021 ; 23-25 авг. ; Екатеринбург); Научный совет по физике конденсированных сред РАН; Научный совет по спектроскопии атомов и молекул РАН; Российское минералогическое общество. Комиссия по рентгенографии, кристаллохимии и спектроскопии; Институт геологии и геохимии им. академика А. Н. Заварицкого УрО РАН; Федеральный исследовательский центр "Красноярский научный центр Сибирского отделения Российской академии наук"; Институт физики им. Л.В. Киренского Сибирского отделения РАН; Институт химии твердого тела УрО РАН; Уральский Федеральный университет им. Первого Президента России Б.Н. Ельцина
}
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12.

Temperature phase transitions in Rb2KRe3+F6 elpasolites / A. N. Vtyurin, A. S. Krylov, S. N. Krylova [и др.] // Perovskites and other framework structure crystalline materials: 2d-perovskites, aurivillius, ruddlesden-popper, dion-jacobson phases, tungsten bronzes, clays, and others : Collaborating Academics, 2021. - P. 309-326. - (Artificially created materials and applications ; Vol. 1)

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Держатели документа:
Библиотека Института физики им. Л. В. Киренского СО РАН

Доп.точки доступа:
Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Gerasimova, J. V.; Герасимова, Юлия Валентиновна; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Voronov, V. N.; Воронов, Владимир Николаевич
}
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13.

    Structural phase transition in (NH4)3GeF7– Raman spectroscopy data / Y. Gerasimova, N. Laptash, A. Krylov [et al.] // Crystals. - 2021. - Vol. 11, Is. 5. - Ст. 506, DOI 10.3390/cryst11050506. - Cited References: 22. - This research was partially funded by RFBR and DFG, project No. 21-52-12018 . - ISSN 2073-4352
   Перевод заглавия: Структурный фазовый переход в (NH4)3GeF7 – по данным комбинационного рассеяния
Кл.слова (ненормированные):
fluorides -- Raman spectra -- lattice disordering
Аннотация: We obtained Raman spectra of (NH4)3GeF7 crystals with a wide range of frequencies (10–3400 cm−1) and temperatures (8–300 K), including phase transition, which was accompanied by a symmetry increase with a temperature decrease. The internal vibrations of the GeF62− group were classified by the positional symmetry method. Considerable transformations of the Raman spectra were observed at the lower frequency range of lattice vibrations and the ranges of the internal vibrations of the ammonium ions. In contrast, the internal modes of the GeF62− groups changed only slightly due to their resonance splitting in the multiplied unit cell, which agreed well with the proposed phase transition mechanism induced by ammonium group ordering.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Chemistry, Far Eastern Branch of RAS, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Gerasimova, Yu. V.; Герасимова, Юлия Валентиновна; Laptash, N. M.; Krylov, A. S.; Крылов, Александр Сергеевич; Vonog, V.; Vtyurin, A. N.; Втюрин, Александр Николаевич
}
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14.

    Synthesis, structure, melting and optical properties of three complex orthorhombic sulfides BaDyCuS3, BaHoCuS3 and BaYbCuS3 / N. O. Azarapin, V. V. Atuchin, N. G. Maximov [et al.] // Mater. Res. Bull. - 2021. - Vol. 140. - Ст. 111314, DOI 10.1016/j.materresbull.2021.111314. - Cited References: 60. - This study was supported by the Russian Science Foundation (19-42-02003). The authors would like to thank Alexey A. Lubin for his studies on SEM. The studies were carried out on the basis of laboratory of electron and probe microscopy in REC ‘Nanotechnologies’. This work was partially supported by the 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 MeitY for the YFRF under the 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). We are grateful to the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center «Krasnoyarsk Science Center SB RAS» for the provided equipment . - ISSN 0025-5408
   Перевод заглавия: Синтез, строение, плавление и оптические свойства трех сложных орторомбических сульфидов BaDyCuS3, BaHoCuS3 и BaYbCuS3
Кл.слова (ненормированные):
Complex sulfides -- Crystal structure -- SEM -- Raman -- Melting point
Аннотация: Complex sulfides BaDyCuS3, BaHoCuS3 and BaYbCuS3 were synthesized in a flow of sulfiding gases (CS2, H2S) at 900°C from standard solutions of lanthanide and copper nitrates, as well as from the same standard Ba(OH)2 solution. The crystal structures of BaDyCuS3, BaHoCuS3 and BaYbCuS3 were obtained by the Rietveld refinement method. All three compounds crystallize in the Cmcm space group (KZrCuS3 structural type) as predicted by the tolerance factor analysis. Their micromorphological, thermal and spectroscopic properties are evaluated. BaDyCuS3 and BaHoCuS3 melt congruently at 1376.5 °C and 1363.8 °C. BaYbCuS3 melts incongruently at 1353.3 °C. The optical band gap is 2.45 eV for BaDyCuS3, 2.37 eV for BaHoCuS3 and 1.82 eV for BaYbCuS3. The low bandgap of BaYbCuS3 is explained by the charge transfer band of Yb at the bottom of conduction band. The vibrational parameters of BaDyCuS3, BaHoCuS3 and BaYbCuS3 crystals were determined with the use of Raman and Infrared spectroscopies.

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Держатели документа:
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Institute of Chemistry and Chemical Technology, Federal Research Center KSC SB RAS, Krasnoyarsk, 660049, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Hybrid Nanodevice Research Group (HNRG), Electrical Engineering and Centre for Advanced Electronics (CAE), Indian Institute of Technology IndoreMadhya Pradesh 453552, India
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation

Доп.точки доступа:
Azarapin, N. O.; Atuchin, V. V.; Maximov, N. G.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Krylov, A. S.; Крылов, Александр Сергеевич; Burkhanova, T. M.; Mukherjee, S.; Andreev, O. V.
}
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15.

    Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure / E. Moshkina, A. Bovina, M. Molokeev [et al.] // CrystEngComm. - 2021. - Vol. 23, Is. 33. - P. 5624-5635, DOI 10.1039/d1ce00750e. - Cited References: 32. - This work was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Krai, and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activities, project no. 20-42-240011. X-ray and EDX data were obtained with the use of the analytical equipment of the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 1466-8033
   Перевод заглавия: Исследование особенностей роста, структуры и рамановских спектров двойных (Mn,Ni)3BO5 и тройных (Mn,Ni,Cu)3BO5 оксиборатов со структурой людвигита

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
MAGNETIC-PROPERTIES
SINGLE-CRYSTAL
Аннотация: Crystallization of heterovalent double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with the ludwigite structure is studied in fluxes based on Bi2Mo3O12 diluted with Na2CO3 or Li2CO3 carbonates. Single crystals of five (Mn,Ni)3BO5 and three (Mn,Ni,Cu)3BO5 compounds with different cation ratios are obtained. The ion concentration is determined from the analysis of the lattice parameters by powder and single crystal XRD. The comparative analysis of the polarized Raman spectra of double and triple ludwigites is presented. The actual high nickel and small copper concentrations in the crystals are discussed. The hierarchy of chemical bonds in the fluxes used in addition to the approach involving stabilization of the manganese valence state using solvent components is estimated.

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Держатели документа:
Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Russian Acad Sci, Fed Res Ctr, Krasnoyarsk Sci Ctr, Siberian Branch, Krasnoyarsk 660036, Russia.
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.

Доп.точки доступа:
Moshkina, E. M.; Мошкина, Евгения Михайловна; Bovina, A. F.; Бовина, Ася Федоровна; Molokeev, M. S.; Молокеев, Максим Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Shabanov, A. V.; Шабанов, Александр Васильевич; Chernyshov, A. V.; Чернышов, Артем Валерьевич; Sofronova, S. N.; Софронова, Светлана Николаевна; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR); Government of the Krasnoyarsk Krai; Krasnoyarsk Territorial Foundation for Support of Scientific and RD Activities [20-42-240011]
}
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16.

Electronic band structures of NdFe3(BO3)4 and NdGa3(BO3)4 crystals: ab initio calculations / S. Krylova, I. Gudim, A. Aleksandrovsky [et al.] // Ferroelectrics. - 2021. - Vol. 575, Is. 1. - P. 11-17, DOI 10.1080/00150193.2021.1888219. - Cited References: 27. - This work was supported by the Russian Foundation for Basic Research Grant No. 20-42-240009 . - ISSN 0015-0193. - ISSN 1563-5112

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
HOFE3(BO3)4
   TEMPERATURE
   SPECTRA
   GROWTH
Кл.слова (ненормированные):
Borates -- ab initio calculation -- electronic bands -- crystal structure
Аннотация: NdFe3(BO3)4 and NdGa3(BO3)4 crystals are of great interest due to their physical properties. For example, NdFe3(BO3)4 crystal demonstrates magnetodielectric and magnetopiezoelectric effects, and NdGa3(BO3)4 crystal possesses luminescent and nonlinear optical properties. In this work, the properties of these materials are calculated by the plane-wave pseudo-potential method based on density functional theory. The structures of the crystals are optimized. The electronic structure of NdFe3(BO3)4 and NdGa3(BO3)4 are calculated.

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Держатели документа:
Kirensky Inst Phys FRC KSC SB RAS, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Krylova, S. N.; Крылова, Светлана Николаевна; Gudim, I. A.; Гудим, Ирина Анатольевна; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич; Russian Foundation for Basic Research GrantRussian Foundation for Basic Research (RFBR) [20-42-240009]
}
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17.

Anharmonicity and local noncentrosymmetric regions in BaTiO3 pressed powder studied by the Raman line temperature dependence / A. M. Pugachev, I. V. Zaytseva, N. V. Surovtsev, A. S. Krylov // Ceram. Int. - 2020. - Vol. 46, Is. 14. - P. 22619-22623, DOI 10.1016/j.ceramint.2020.06.024. - Cited References: 26. - The reported study was funded by RFBR , according to the research project No. 18-02-00399 and 19-42-543-016 , Government of Novosibirsk region No. 19-42-543-016 and State assignment No AAAA-A17-117052410033-9. The experiments were performed in the multiple-access center “High-Resolution Spectroscopy of Gases and Condensed Matter” in IA&E SB RAS (Novosibirsk, Russia) and Center for Common Use of the Krasnoyarsk Scientific Center, SB RAS (Krasnoyarsk, Russia) . - ISSN 0272-8842
Кл.слова (ненормированные):
BaTiO3 -- Non-hydrostatic pressure -- Raman scattering -- Anharmonicity -- Noncentrosymmetric regions
Аннотация: The temperature dependencies of position, width, and integral amplitude the E(TO) line near 307 cm−1 in Raman spectra in barium titanate powders with different non-hydrostatic pressure and temperature treatment were studied. It was found that parameters of the E(TO) line near 307 cm−1 are different in the crystal, the untreated powder, the powder treated by the non-hydrostatic pressure, and the powder annealed after the pressure treatment. The line width (FWHM) increase with temperature according to Klemens model. It indicates that the origin of the line broadening is the anharmonicity of the E(TO) phonons. The pressure treatment changes the anharmonicity of the phonon potential. It was found that the temperature dependence of the integral intensity of the E(TO) line is similar to that of the second optical harmonic signal and reflects the presence of the local polar regions. Thus, the E(TO) line in the Raman spectrum allows one to characterize the average polarity of local regions and their anharmonicity depending on non-hydrostatic pressures and thermal treatment.

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Держатели документа:
Institute of Automation and Electrometry SB RAS, Novosibirsk, 630090, Russian Federation
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Pugachev, A. M.; Zaytseva, I. V.; Surovtsev, N. V.; Krylov, A. S.; Крылов, Александр Сергеевич
}
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18.

Structural phase transition in TbFe2.5Ga0.5(BO3)4 single crystal / A. S. Krylov, I. A. Gudim, S. N. Krylova [et al.] // Ferroelectrics. - 2020. - Vol. 559, Is. 1. - P. 128-134, DOI 10.1080/00150193.2020.1722014. - Cited References: 16. - The reported study was funded by the Russian Foundation for Basic Research according to the research project No. 18-02-00754 . - ISSN 0015-0193
Кл.слова (ненормированные):
Soft modes -- low temperatures -- phonon–magnon interaction -- magnetic ordering -- crystal with huntite structure
Аннотация: The Raman spectra of the TbFe2.5Ga0.5(BO3)4 single crystal in the temperature range from 8 to 400 K have been observed. The condensation and restoration of the soft modes have been found. The soft modes are associated with the structural phase transition from the R32 phase to the P3121 phase. The behavior of the hard modes confirms the structural phase transition close to the tricritical point. The temperature of the structural phase transition T1 = 33 K is established.

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Держатели документа:
Kirensky Institute of Physics, FRC KSC SB RAS, Krasnoyarsk, Russian Federation
Moscow Institute of Physics and Technology, Dolgoprudny, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Gudim, I. A.; Гудим, Ирина Анатольевна; Krylova, S. N.; Крылова, Светлана Николаевна; Krylov, A. A.; Vtyurin, A. N.; Втюрин, Александр Николаевич
}
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19.

    Formation, evolution and characteristics of copper sulfide nanoparticles in the reactions of aqueous cupric and sulfide ions / Y. Mikhlin, V. Nasluzov, A. Ivaneeva [et al.] // Mater. Chem. Phys. - 2020. - Vol. 255. - Ст. 123600, DOI 10.1016/j.matchemphys.2020.123600. - Cited References: 74. - This research was supported by the Russian Foundation for Basic Research , project 18-03-00526a . We thank the ESRF for allocating beamtime, and the BM23 staff for their help during the experiments. Facilities of the Krasnoyarsk Regional Research Equipment Centre of SB RAS were employed in the work . - ISSN 0254-0584
   Перевод заглавия: Формирование, эволюция и свойства наночастиц сульфида меди, сформировавшихся в результате реакции между ионами меди и серы в водном растворе
Кл.слова (ненормированные):
Copper sulfide nanoparticles -- Polysulfide -- X-ray photoelectron spectroscopy -- X-ray absorption spectroscopy -- DFT+U
Аннотация: Colloidal copper sulfides produced in reactions of aqueous copper and sulfide ions are important for many materials applications, environment and mineral processing. Here, CuxS nanoparticles formed and aged at varying copper sulfate to sodium sulfide ratios were studied using in situ UV–vis–NIR spectroscopy, dynamic light scattering, X-ray absorption spectroscopy, ex situ TEM, X-ray photoelectron spectroscopy and Raman scattering, and DFT + U calculations. It was established that the ratio of aqueous Cu2+ to S2− ions of 1:2 is critical for the reaction, which yields disordered covellite-like 4–6 nm Cu0.7S nanoparticles comprised polysulfide species at this and higher sulfide concentrations; upon aging, the particles release sulfur and transform to chalcocite-like structure (Cu2-xS, x < 1). Conversely, at the “excess” of copper ions, Cu2-xS-type particles grew into 12–14 nm “covellitic” nanoparticles. The optical absorbance at 1100–1200 nm commonly attributed to localized surface plasmon resonance increased with time and was lowest for Cu2+/S2−= 1:2. DFT + U calculations found that polysulfide stabilizes copper-deficit covellite, while Cu vacancies in chalcocite are more favorable and destabilized by S–S bonding; the Fermi level energy increases and the hole density decreases with polysulfide formation. We believe that CuS2 clusters form initially, and following conversion of disulfide to polysulfide and then monosulfide ions rather than release of Cu determines the character of CuxS nanoparticles.

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Держатели документа:
Institute of Chemistry and Chemical Technology, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences, Akademgorodok, 50/24, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny Pr. 79, Krasnoyarsk, 660041, Russian Federation
European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, Grenoble, F-38042, France

Доп.точки доступа:
Mikhlin, Y. L.; Nasluzov, V.; Ivaneeva, A.; Vorobyev, S.; Likhatski, M.; Romanchenko, A.; Krylov, A. S.; Крылов, Александр Сергеевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Meira, D. M.
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20.

Single particle Raman spectroscopy analysis of the metal-organic framework DUT-8(Ni) switching transition under hydrostatic pressure / A. Krylov, I. Senkovska, S. Ehrling [et al.] // Chem. Commun. - 2020. - Vol. 56, Is. 59. - P. 8269-8272, DOI 10.1039/d0cc02491k. - Cited References: 40. - This work is financially supported by the Russian Foundation for Basic Research No18-02-00754 and German research foundation (FOR 2433, MOF-switches). The authors would like to thank Dr. V. Bon for support and scientific discussions . - ISSN 1364-548X
Аннотация: Experimental in situ observations of phase coexistence in switchable metal-organic frameworks are reported to provide a fundamental understanding of dynamic adsorbents that can change their pore structure in response to external stimuli. A prototypical flexible pillared layer framework DUT-8(Ni) (DUT = Dresden University of Technology) was studied under hydrostatic pressure by in situ Raman spectroscopy on single crystals. The closing transition of the open pore phase (op) containing DMF in the pores in silicon oil as a pressure transmitting fluid, as well as the closed pore phase (cp) to op transition under pressure in methanol, were studied. Phase coexistences during both transitions were observed.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Chair of Inorganic Chemistry I, Technische Universitat Dresden, Bergstrasse 66, 01069 Dresden, Germany
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Senkovska, I.; Ehrling, S.; Maliuta, M.; Krylova, S. N.; Крылова, Светлана Николаевна; Slyusareva, E.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Kaskel, S.
}
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