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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisova L. T., Molokeev M. S., Krylov A. S., Aleksandrovsky A. S., Irtyugo L. A., Beletskii V. V., Denisov V. M.
Заглавие : Synthesis, crystal structure, luminescence, and thermophysical properties of TbGaGe2O7
Место публикации : Phys. Solid State. - 2021. - Vol. 63, Is. 1. - P.75-78. - ISSN 10637834 (ISSN), DOI 10.1134/S106378342101008X
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Abylgazina L., Senkovska I., Ehrling S., Bon V., St. Petkov P., Evans J. D., Krylova S. N., Krylov A. S., Kaskel S.
Заглавие : Tailoring adsorption induced switchability of a pillared layer MOF by crystal size engineering
Место публикации : CrystEngComm. - 2021. - Vol. 23, Is. 3. - P.538-549. - ISSN 14668033 (ISSN), DOI 10.1039/d0ce01497d
Примечания : 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)
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kostyukov A. I., Snytnikov V. N., Snytnikov V. N., Rakhmanova M. I., Kostyukova N. Y., Ishchenko A. V., Cherepanova S. V., Krylov A. S., Aleksandrovsky A. S.
Заглавие : Synthesis, structure and photoluminescent properties of Eu:Gd2O3 nanophosphor synthesized by cw CO2 laser vaporization
Место публикации : J. Lumines. - 2021. - Vol. 235. - Ст.118050. - ISSN 00222313 (ISSN), DOI 10.1016/j.jlumin.2021.118050
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Денисова Л. Т., Молокеев, Максим Сергеевич, Крылов, Александр Сергеевич, Александровский, Александр Сергеевич, Иртюго Л. А., Белецкий В. В., Денисов В. М.
Заглавие : Синтез, кристаллическая структура, люминесценция и теплофизические свойства TbGaGe2O7
Место публикации : Физ. тверд. тела. - 2021. - Т. 63, Вып. 1. - С. 76-79. - ISSN 0367-3294, DOI 10.21883/FTT.2021.01.50401.190
Примечания : Библиогр.: 11. - Авторы выражают благодарность Красноярскому региональному центру коллективного пользования ФИЦ КНЦ СО РАН
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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Пугачев А. М., Зайцева И. В., Суровцев, Николай Владимирович, Крылов, Александр Сергеевич
Заглавие : Ангармонизм и локальные нецентросимметричные области в прессованном порошке BaTiO3
Коллективы : Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества, международная онлайн-конференция, Уральский Федеральный университет им. Первого Президента России Б.Н. Ельцина
Место публикации : Втюрин, Александр Николаевич Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества, международная онлайн-конференция (2020 ; 14-19 сент. ; Екатеринбург). Международная онлайн-конференция "Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества" (СЭ-100): сб. тезисов/ Александр Николаевич Втюрин ; чл. прогр. ком. А. Н. Втюрин. - 2020. - Ст.С32. - С. 99. - ISBN 978-5-9500624-3-8
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Крылов, Александр Сергеевич, Мошкина, Евгения Михайловна, Гудим, Ирина Анатольевна, Крылова, Светлана Николаевна, Втюрин, Александр Николаевич
Заглавие : Фазовые переходы в кристаллах мультиферроиков со структурой хантита, содержащих ионы редкоземельных элементов - исследования методом комбинационного рассеяния света
Коллективы : Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества, международная онлайн-конференция, Уральский Федеральный университет им. Первого Президента России Б.Н. Ельцина
Место публикации : Втюрин, Александр Николаевич Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества, международная онлайн-конференция (2020 ; 14-19 сент. ; Екатеринбург). Международная онлайн-конференция "Исследование сегнетоэлектрических материалов российскими учеными. Столетие открытия сегнетоэлектричества" (СЭ-100): сб. тезисов/ Александр Николаевич Втюрин ; чл. прогр. ком. А. Н. Втюрин. - 2020. - Ст.П17. - С. 26-27. - ISBN 978-5-9500624-3-8
Примечания : Cited References: 7
Аннотация: Изучены эффекты, связанные с параметрами структурного порядка и магнитного упорядочения при фазовых переходах в спектрах комбинационного рассеяния света монокристаллов и твердых растворов кристаллов (Hо-Nd)Fe3(BO3)4, (Sm-La)Fe3(BO3)4, Hо(Fe-Ga)3(BO3)4, Tb(Fe-Ga)3(BO3)4 и Nb(Fe-Ga)3(BO3)4.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ruseikina A. V., Molokeev M. S., Chernyshev V. А., Aleksandrovsky A. S., Krylov A. S., Krylova S. N., Velikanov D. A., Grigoriev M. V., Maximov N. G., Shestakov N. P., Garmonov A. A., Matigorov A. V., Tarasov A. S., Rautskii M. V., Khritokhin N. А., Melnikova L. V., Tretyakov N. Y.
Заглавие : Synthesis, structure, and properties of EuScCuS3 and SrScCuS3
Место публикации : J. Solid State Chem. - 2021. - Vol. 296. - Ст.121926. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2020.121926
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisenko Y. G., Sedykh A. E., Molokeev M. S., Oreshonkov A. S., Aleksandrovsky A. S., Krylov A. S., Khritokhin N. A., Sal'nikova E. I., Andreev O. V., Muller-Buschbaum K.
Заглавие : Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O
Место публикации : J. Solid State Chem. - 2021. - Vol. 294. - Ст.121898. - ISSN 00224596 (ISSN), DOI 10.1016/j.jssc.2020.121898
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Yushina, Irina, Krylov A. S., Leonidov, Ivan I., Batalov, Vladimir, Chen, Yu-Sheng, Wang, Suyin Grass, Stash, Adam, Bartashevich E. V.
Заглавие : The influence of chalcogen atom on conformation and phase transition in chalcogenazinoquinolinium monoiodides
Коллективы : 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]
Место публикации : Acta Crystallogr. B. - 2021. - Vol. 77. - P.526-536. - ISSN 2052-5206, DOI 10.1107/S2052520621004571
Примечания : 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
Предметные рубрики: LARGE STOKES SHIFT
D-PI-A
HALOGEN BONDS
ELECTRON LOCALIZATION
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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Moshkina E. M., Bovina A. F., Molokeev M. S., Krylov A. S., Shabanov A. V., Chernyshov A. V., Sofronova S. N.
Заглавие : 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
Коллективы : 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]
Место публикации : CrystEngComm. - 2021. - Vol. 23, Is. 33. - P.5624-5635. - ISSN 1466-8033(eISSN), DOI 10.1039/d1ce00750e
Примечания : 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"
Предметные 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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11.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Vtyurin A. N., Krylov A. S., Krylova S. N., Gerasimova J. V., Ivanenko A. A., Voronov V. N.
Заглавие : Temperature phase transitions in Rb2KRe3+F6 elpasolites
Место публикации : 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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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Goryainov, Sergey, V, Krylova S. N., Borodina, Ulyana O., Krylov A. S.
Заглавие : Dynamical immiscibility of aqueous carbonate fluid in the shortite-water system at high-pressure-temperature conditions
Коллективы : 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
Место публикации : J. Phys. Chem. C. - 2021. - Vol. 125, Is. 33. - P.18501-18509. - ISSN 1932-7447, DOI 10.1021/acs.jpcc.1c05077. - ISSN 1932-7455(eISSN)
Примечания : 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
Предметные 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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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Azarapin N. O., Atuchin V. V., Maximov N. G., Aleksandrovsky A. S., Molokeev M. S., Oreshonkov A. S., Shestakov N. P., Krylov A. S., Burkhanova T. M., Mukherjee S., Andreev O. V.
Заглавие : Synthesis, structure, melting and optical properties of three complex orthorhombic sulfides BaDyCuS3, BaHoCuS3 and BaYbCuS3
Место публикации : Mater. Res. Bull. - 2021. - Vol. 140. - Ст.111314. - ISSN 00255408 (ISSN), DOI 10.1016/j.materresbull.2021.111314
Примечания : 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
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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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tanwar M., Pathak D. K., Chaudhary A., Krylov A. S., Pfnur H., Sharma A., Ahn B., Lee S., Kumar R.
Заглавие : Pseudo-anomalous size-dependent electron-phonon interaction in graded energy band: Solving the Fano paradox
Место публикации : J. Phys. Chem. Lett. - 2021. - Vol. 12, Is. 8. - P.2044-2051. - ISSN 19487185 (ISSN), DOI 10.1021/acs.jpclett.1c00217
Примечания : Cited References: 77
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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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylova S. N., Gudim I. A., Aleksandrovsky A. S., Vtyurin A. N., Krylov A. S.
Заглавие : Electronic band structures of NdFe3(BO3)4 and NdGa3(BO3)4 crystals: ab initio calculations
Коллективы : Russian Foundation for Basic Research GrantRussian Foundation for Basic Research (RFBR) [20-42-240009]
Место публикации : Ferroelectrics. - 2021. - Vol. 575, Is. 1. - P.11-17. - ISSN 0015-0193, DOI 10.1080/00150193.2021.1888219. - ISSN 1563-5112(eISSN)
Примечания : Cited References: 27. - This work was supported by the Russian Foundation for Basic Research Grant No. 20-42-240009
Предметные рубрики: HOFE3(BO3)4
TEMPERATURE
SPECTRA
GROWTH
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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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Yu. V., Laptash N. M., Krylov A. S., Vonog V., Vtyurin A. N.
Заглавие : Structural phase transition in (NH4)3GeF7– Raman spectroscopy data
Место публикации : Crystals. - 2021. - Vol. 11, Is. 5. - Ст.506. - ISSN 20734352 (ISSN), DOI 10.3390/cryst11050506
Примечания : Cited References: 22. - This research was partially funded by RFBR and DFG, project No. 21-52-12018
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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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Gudim I. A., Krylova S. N., Krylov A. A., Vtyurin A. N.
Заглавие : Structural phase transition in TbFe2.5Ga0.5(BO3)4 single crystal
Место публикации : Ferroelectrics. - 2020. - Vol. 559, Is. 1. - P.128-134. - ISSN 00150193 (ISSN), DOI 10.1080/00150193.2020.1722014
Примечания : Cited References: 16. - The reported study was funded by the Russian Foundation for Basic Research according to the research project No. 18-02-00754
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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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kostyukov A. I., Snytnikov V. N., Snytnikov V. N., Ishchenko A. V., Rakhmanova M. I., Molokeev M. S., Krylov A. S., Aleksandrovsky A. S.
Заглавие : Luminescence of monoclinic Y2O3:Eu nanophosphor produced via laser vaporization
Место публикации : Opt. Mater. - 2020. - Vol. 104. - Ст.109843. - ISSN 09253467 (ISSN), DOI 10.1016/j.optmat.2020.109843
Примечания : Cited References: 19. - This work is financially supported by the Russian Foundation for Basic Research № 19-32-60027
Аннотация: Europium doped Y2O3spherical nanoparticles with the diameter ~10 nmobtained via cw laser vaporization are shown to crystallize in monoclinic symmetry class (C2/m space group). The size of nanoparticles established via HRTEM coincides with coherent scattering region established by XRD. Luminescence spectrum in the vicinity of ultranarrow transition demonstrates three peaks consistent with three inequivalent positions of Eu3+ ion in monoclinic Y2O3 lattice. Hypersensitive transition dominates in the spectrum, admitting the lack of inversion symmetry at Cs sites occupied by Eu3+. The spectrum of hypersensitive transition is expanded to the red part of spectrum due intense transitions terminating at higher-lying components of crystal-field-split 7F2 energy level. Obtaining chromaticity coordinates (0.669, 0.331)and absolute quantum yield (~21%) is possible using red phosphor based on monoclinic Y2O3:Eu3+.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Senkovska I., Ehrling S., Maliuta M., Krylova S. N., Slyusareva E., Vtyurin A. N., Kaskel S.
Заглавие : Single particle Raman spectroscopy analysis of the metal-organic framework DUT-8(Ni) switching transition under hydrostatic pressure
Место публикации : Chem. Commun. - 2020. - Vol. 56, Is. 59. - P.8269-8272. - ISSN 1364548X (ISSN), DOI 10.1039/d0cc02491k
Примечания : 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
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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20.

Вид документа : Статья из журнала
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Автор(ы) : Pugachev A. M., Zaytseva I. V., Surovtsev N. V., Krylov A. S.
Заглавие : Anharmonicity and local noncentrosymmetric regions in BaTiO3 pressed powder studied by the Raman line temperature dependence
Место публикации : Ceram. Int. - 2020. - Vol. 46, Is. 14. - P.22619-22623. - ISSN 02728842 (ISSN), DOI 10.1016/j.ceramint.2020.06.024
Примечания : 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)
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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