Библиотека института физики им. Л.В. Киренского СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovnev N. N., Aleksandrovsky A. S., Gerasimova M. A., Tomilin F. N., Mironov V. A., Demina A. V., Xia Z., Molokeev M. S.
Заглавие : Luminescent zero-dimensional hybrid lead thiohalide nanostructures for high quantum yield and broadband excitation
Место публикации : ACS Appl. Nano Mat. - 2021. - Vol. 4, Is. 4. - P.3654-3663. - ISSN 25740970 (ISSN), DOI 10.1021/acsanm.1c00162
Примечания : Cited References: 55. - This work is supported by the RFBR according to the research project No. 19-52-80003. This work is also supported by the National Natural Science Foundation of China (51961145101). V.M. thanks Russian Foundation for Basic Research (project number 19-03-00043) for funding. The use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged. The authors thank JSCC RAS for providing computational resources
Аннотация: Luminescent trans-[Pb(DMTU-S)4Cl2] (DMTU: N,N′-dimethylthiourea) was designed and prepared via either mechanochemical or solvothermal methods, and the structures of DMTU and trans-[Pb(DMTU-S)4Cl2] have been resolved using X-ray single-crystal diffraction. Upon excitation over broadband covering the range from 450 to 250 nm, trans-[Pb(DMTU-S)4Cl2] shows yellow-green emission peaking at 549 nm with a spectral width of 110 nm, which is assigned to the triplet–singlet transition of Pb2+ ions within distorted heterogeneous S4Cl2 octahedra. The broadband excitation comprised singlet–singlet transitions of Pb2+ ions and energy transfer from orbitals involving those of organic ligands. Simultaneous analysis of the luminescent bandwidth and Stokes shift gives for Pb2+ ions in S4Cl2 octahedra the value of the Huang–Rhys parameter S = 4.25 and the energy of phonon involved in the formation of the luminescence spectrum of the order of 90 meV. Quantum yield as high as 91% is detected for excitation at 365 nm. This high quantum yield indicates the absence of noticeable concentration quenching at an average distance of 9.4 Å between the Pb2+ ions within the structure of trans-[Pb(DMTU)4Cl2]. The weak spin–orbit intersystem crossing is deduced from a high photoluminescence quantum yield (PLQY) value. Time dependent-density functional theory (TD-DFT) calculations of the nanocluster indicate the red shift of absorption bands in Pb(DMTU)4Cl2 with respect to parent DMTU. The high-performance photoluminescence and stability demonstrated promising applications in photonics.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ruseikina A. V., Chernyshev V. A., Velikanov D. A., Aleksandrovsky A. S., Shestakov N. P., Molokeev M. S., Grigoriev M. V., Andreev O. V., Garmonov A. A., Matigorov A. V., Melnikova L. V., Kislitsyn A. A., Volkova S. S.
Заглавие : Regularities of the property changes in the compounds EuLnCuS3 (Ln = La-Lu)
Место публикации : J. Alloys Compd. - 2021. - Vol. 874. - Ст.159968. - ISSN 09258388 (ISSN), DOI 10.1016/j.jallcom.2021.159968
Примечания : Cited References: 102. - The work was supported by the Ministry of Science and Higher Education of the Russian Federation under Project No. FEUZ-2020-0054 ; by the " YMNIK " program research project No. 14977GY/2019; by the Ministry of Science and Higher Education of the Russian Federation under project RFMEFI59420X0019
Аннотация: This work contains the results of complex experimental research of the compounds EuLnCuS3 (Ln = La-Lu) enhanced by the DFT calculations. It is aimed at the data replenishment with particular attention to the revelation of regularities in the property changes, in order to extend the potential applicability of the materials of the selected chemical class. The ab initio calculations of the fundamental vibrational modes of the crystal structures were in good agreement with experimental results. The wavenumbers and types of the modes were determined, and the degree of the ion participation in the modes was also estimated. The elastic properties of the compounds were calculated. The compounds were found out to be IR-transparent in the range of 4000–400 cm–1. The estimated microhardness of the compounds is in the range of 2.68–3.60 GPa. According to the DSC data, the reversible polymorphous transitions were manifested in the compounds EuLnCuS3 (Ln = Sm, Gd-Lu): for EuSmCuS3 Tα↔β = 1437 K, ΔНα↔β = 7.0 kJ·mol-1, Tβ↔γ = 1453 K, ΔНβ↔γ = 2.6 kJ·mol-1; for EuTbCuS3 Tα↔β = 1478 K, ΔНα↔β = 1.6 kJ·mol-1, Tβ↔γ = 1516 K, ΔНβ↔γ = 0.9 kJ·mol-1, Tγ↔δ = 1548 K, ΔНγ↔δ = 1.6 kJ·mol-1; for EuTmCuS3 Tα↔β = 1543 K, Tβ↔γ = 1593 K, Tγ↔δ = 1620 K; for EuYbCuS3 Tα↔β = 1513 K, Tβ↔γ = 1564 K, Tγ↔δ = 1594 K; for EuLuCuS3 Tα↔β = 1549 K, Tβ↔γ = 1601 K, Tγ↔δ = 1628 K. In the EuLnCuS3 series, the transition into either ferro- or ferrimagnetic states occurred in the narrow temperature range from 2 to 5 K. The tetrad effect in the changes of incongruent melting temperature and microhardness conditioned on rLn3+ as well as influencing of phenomenon of crystallochemical contraction were observed. For delimiting between space groups Cmcm and Pnma in the compounds ALnCuS3, the use of the tolerance factor t’ = IR(A)·IR(C) + a×IR(B)2 was verified.
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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) : 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Irtyugo L. A., Denisova L. T., Molokeev M. S., Denisov V. M., Aleksandrovsky A. S., Beletskii V. V., Sivkova, E. Yu
Заглавие : Synthesis, crystal structure, and the optical and thermodynamic properties of PrAlGe2O7
Место публикации : Russ. J. Phys. Chem. A. - 2021. - Vol. 95, Is. 8. - P.1546-1550. - ISSN 0036-0244, DOI 10.1134/S0036024421080124. - ISSN 1531-863X(eISSN)
Примечания : Cited References: 23
Предметные рубрики: TEMPERATURE HEAT-CAPACITY
GERMANATES
SMFEGE2O7
PR
Аннотация: Germanate PrAlGe2O7 is obtained from initial oxides Pr2O3, Al2O3, and GeO2 via solid-phase synthesis. The crystal structure of the investigated germanate is determined via X-ray diffraction. The luminescence spectra are been determined at room temperature. The effect temperature has on the heat capacity is determined via differential scanning calorimetry. The thermodynamic properties of the complex oxide compound are calculated using the experimental data on Cp = f(T) in the temperature range of 350‒1000 K.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Иртюго Л. А., Денисова Л. Т., Молокеев, Максим Сергеевич, Денисов В. М., Александровский, Александр Сергеевич, Белецкий В. В., Сивкова Е. Ю.
Заглавие : Синтез, кристаллическая структура, оптические и термодинамические свойства PrAlGe2O7
Место публикации : Журн. физ. химии. - 2021. - Т. 95, № 8. - С. 1165-1170. - ISSN 0044-4537, DOI 10.31857/S0044453721080124
Примечания : Библиогр.: 23
Аннотация: Из исходных оксидов Pr2O3, Al2O3 и GeO2 твердофазным методом синтезирован германат PrAlGe2O7. С использованием рентгеновской дифракции уточнена его кристаллическая структура. Спектры люминесценции измерены при комнатной температуре. Влияние температуры на его теплоемкость определено методом дифференциальной сканирующей калориметрии. По экспериментальным данным Cp = f(T) в области 350–1000 K рассчитаны термодинамические свойства оксидного соединения.
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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Azarapin N. O., Oreshonkov A. S., Razumkova I. A., Aleksandrovsky A. S., Maximov N. G., Leonidov I. I., Shestakov N. P., Andreev O. V.
Заглавие : Evolution of structural, thermal, optical, and vibrational properties of Sc2S3, ScCuS2, and BaScCuS3 semiconductors
Коллективы : Ministry of Science and Higher Education of the Russian Federation [05.594.21.0019, UIN RFME-FI59420X0019]; ISSC UB RAS [AAAA-A19-119031890025-9]
Место публикации : Eur. J. Inorg. Chem. - 2021. - Vol. 2021, Is. 33. - P.3355-3366. - ISSN 1434-1948, DOI 10.1002/ejic.202100292. - ISSN 1099-0682(eISSN)
Примечания : Cited References: 50. - The work was partially carried out using the resources of the Research Resource Center "Natural Resources Management and Physico-Chemical Research" (Tyumen University) with financial support from the Ministry of Science and Higher Education of the Russian Federation (contract No. 05.594.21.0019, UIN RFMEFI59420X0019). The Raman spectroscopic studies were carried out at the collaborative research center for vibrational spectroscopy at ISSC UB RAS (Ekaterinburg, Russia). I.I.L. would like to acknowledge the support from the Research Program No. AAAA-A19-119031890025-9 (ISSC UB RAS). The use of the equipment of Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center "Krasnoyarsk Science Center SB RAS" is acknowledged." The authors are grateful to Dr. Elena V. Vladimirova (ISSC UB RAS) for technical assistance
Предметные рубрики: RARE-EARTH
QUATERNARY CHALCOGENIDES
CRYSTAL-STRUCTURES
Аннотация: In the present work, we report on the synthesis of Sc2S3, ScCuS2 and BaScCuS3 powders using a method based on oxides sulfidation and modification of their properties. The crystal structures and morphology of samples are verified by XRD and SEM techniques. Thermal stability has been studied by DTA which has revealed that Sc2S3 decomposes to ScS through melting at 1877 K. ScCuS2 and BaScCuS3 melt incongruently at temperatures of 1618 K and 1535 K, respectively. The electronic structure calculations show that the investigated compounds are semiconductors with indirect band gap (Eg). According to the diffuse reflection spectroscopy, Sc2S3, ScCuS2 and BaScCuS3 are wide-bandgap semiconductors featured the Eg values of 2.53 eV, 2.05 eV and 2.06 eV, respectively. The band gap decreases with the introduction of copper (I) and barium cations into the crystal structure of the compounds. Variation of local structure has been verified by Raman and infrared spectroscopy. The calculated vibrational modes of ScCuS2 correspond to CuS4 and Sc−S layer vibrations, even though ScS6 octahedra-like structural units can be found in the structure.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Александровский, Александр Сергеевич, Григорьев, Максим Владимирович, Максимов, Николай Геннадьевич, Русейкина, Анна Валерьевна
Заглавие : Ширина запрещенной зоны соединений SrScCuS3 и EuScCuS3
Коллективы : Физическая химия и электрохимия расплавленных и твердых электролитов, российская конференция
Место публикации : Физическая химия и электрохимия расплавленных и твердых электролитов, российская конференция (18 ; 2020 ; 21-25 сент. ; Нальчик). Физическая химия и электрохимия расплавленных и твердых электролитов: сборник научных трудов. - 2020. - С. 332-334. - ISBN 9785912565007 (Шифр 43926355)
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10.

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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