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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) : Герасимова, Юлия Валентиновна, Александровский, Александр Сергеевич, Лапташ Н. М., Герасимов М. А., Крылов, Александр Сергеевич, Втюрин, Александр Николаевич
Заглавие : Спектроскопия комбинационного рассеяния и электронных возбуждений структурно неупорядоченного кристалла FeTiF6∙6H2O
Коллективы : "Спектроскопия комбинационного рассеяния света", Урало-сибирский семинар, Урало-сибирский семинар по спектроскопии комбинационного рассеяния света, Научный совет по физике конденсированных сред РАН, Научный совет по спектроскопии атомов и молекул РАН, Российское минералогическое общество, 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
Место публикации : 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. 35-36. - ISBN 978-5-94332-125-2
Примечания : Библиогр.: 2. - Работа выполнена при финансовой поддержке Российского фонда фундаментальных исследований, Правительства Красноярского края и Красноярского краевого фонда науки в рамках исследовательского проекта № 20-42-240014
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisenko Y. G., Sedykh A. E., Basova S. A., Atuchin V. V., Molokeev M. S., Aleksandrovsky A. S., Krylov A. S., Oreshonkov A. S., Khritokhin N. A., Sal'nikova E. I., Andreev O. V., Muller-Buschbaum K.
Заглавие : Exploration of the structural, spectroscopic and thermal properties of double sulfate monohydrate NaSm(SO4)2·H2O and its thermal decomposition product NaSm(SO4)2
Место публикации : Adv. Powder Technol. - 2021. - Vol. 32, Is. 11. - P.3943-3953. - ISSN 09218831 (ISSN), DOI 10.1016/j.apt.2021.08.009
Примечания : Cited References: 81. - This work was partly supported by the Russian Science Foundation (21-19-00046) and Russian Foundation for Basic Research (Grant 19-33-90258\19). The use of the equipment of Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged
Аннотация: Samarium-sodium double sulfate crystalline hydrate NaSm(SO4)2·H2O was obtained by the crystallization from an aqueous solution containing equimolar amounts of ions. The anhydrous salt of NaSm(SO4)2 was formed by a thermally induced release of the equivalent of water from NaSm(SO4)2·H2O. The kinetic parameters of thermal decomposition were determined (Ea = 102 kJ/mol, A = 9·106). The crystal structures of both compounds were refined from the X-ray powder diffraction data. Sulfate hydrate NaSm(SO4)2·H2O crystallizes in the trigonal symmetry, space group P3121 (a = 6.91820(3) and c = 12.8100(1) Å, V = 530.963(7) Å3). The anhydrous salt crystallizes in the triclinic symmetry, space group P-1 (a = 6.8816(2), b = 6.2968(2) and c = 7.0607(2) Å, α = 96.035(1), β = 99.191(1) and γ = 90.986(1)°, V = 300.17(1) Å3). The vibrational properties of compounds are mainly determined by the sulfate group deformations. The luminescence spectra of both sulfates are similar and are governed by the transitions of samarium ions 4G5/2 → 6HJ (J = 5/2, 7/2, 9/2 and 11/2). The anhydrous sulfate is stable up to 1100 K and undergoes an almost isotropic expansion when heated. After 1100 K, the compound decomposes into Sm2(SO4)3 and Na2SO4.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Yu. V., Aleksandrovsky A. S., Laptash N. M., Gerasimov M. A., Krylov A. S., Vtyurin A. N., Dubrovskiy A. A.
Заглавие : Spectroscopy of structurally disordered hydrated iron fluoridotitanate in the regions of vibrational and electronic excitations
Место публикации : Spectrochim. Acta A. - 2022. - Vol. 264. - Ст.120244. - ISSN 13861425 (ISSN), DOI 10.1016/j.saa.2021.120244
Примечания : Cited References: 28. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory and Krasnoyarsk Regional Foundation of Science according to the research project “Spectral and magnetic properties of single crystals of transition metal fluoride hexahydrates.” No. 20-42-240014
Аннотация: Raman and optical absorption spectra of disordered hydrated iron fluoridotitanate (HITF) single crystal were studied. Temperature transformations of the Raman spectra indicate independent ordering processes of the [TiF6]2− and [Fe(H2O)6]2+ complexes below the structural phase transition. The absorption spectrum in the near-infrared and visible ranges includes transitions from the high spin ground state 5T2 of Fe2+ ion to the excited 5E state and a set of excited triplets. Analysis by Tanabe-Sugano method gives crystal field Dq = 490 cm−1 and Racah parameters B = 340 cm−1 and C = 1904 cm−1. Considerable decrease of B parameter as compared to the free ion value indicates a decrease of interelectron repulsion in the disordered neighborhood of Fe2+ ions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisenko Y. G., Molokeev M. S., Oreshonkov A. S., Krylov A. S., Aleksandrovsky A. S., Azarapin N. O., Andreev O. V., Razumkova I. A., Atuchin V. V.
Заглавие : Crystal structure, vibrational, spectroscopic and thermochemical properties of double sulfate crystalline hydrate [CsEu(H2O)3(SO4)2]·H2O and its thermal dehydration product CsEu(SO4)2
Место публикации : Crystals. - 2021. - Vol. 11, Is. 9. - Ст.1027. - ISSN 20734352 (ISSN), DOI 10.3390/cryst11091027
Примечания : Cited References: 103. - This work was partially supported by the Russian Foundation for Basic Research (grant 19-33-90258\19)
Аннотация: Crystalline hydrate of double cesium europium sulfate [CsEu(H2O)3(SO4)2]·H2O was synthesized by the crystallization from an aqueous solution containing equimolar amounts of 1Cs+:1Eu3+:2SO42− ions. Anhydrous salt CsEu(SO4)2 was formed as a result of the thermal dehydration of the crystallohydrate. The unusual effects observed during the thermal dehydration were attributed to the specific coordination of water molecules in the [CsEu(H2O)3(SO4)2]·H2O structure. The crystal structure of [CsEu(H2O)3(SO4)2]·H2O was determined by a single crystal X-ray diffraction analysis, and the crystal structure of CsEu(SO4)2 was obtained by the Rietveld method. [CsEu(H2O)3(SO4)2]·H2O crystallizes in the monoclinic system, space group P21/c (a = 6.5574(1) Å, b = 19.0733(3) Å, c = 8.8364(2) Å, β = 93.931(1)°, V = 1102.58(3) Å3). The anhydrous sulfate CsEu(SO4)2 formed as a result of the thermal destruction crystallizes in the monoclinic system, space group C2/c (a = 14.327(1) Å, b = 5.3838(4) Å, c = 9.5104(6) Å, β = 101.979(3) °, V = 717.58(9) Å3). The vibration properties of the compounds are fully consistent with the structural models and are mainly determined by the deformation of non-rigid structural elements, such as H2O and SO42−. As shown by the diffused reflection spectra measurements and DFT calculations, the structural transformation from [CsEu(H2O)3(SO4)2]·H2O to CsEu(SO4)2 induced a significant band gap reduction. A noticeable difference of the luminescence spectra between cesium europium sulfate and cesium europium sulfate hydrate is detected and explained by the variation of the extent of local symmetry violation at the crystallographic sites occupied by Eu3+ ions, namely, by the increase in inversion asymmetry in [CsEu(H2O)3(SO4)2]·H2O and the increase in mirror asymmetry in CsEu(SO4)2. The chemical shift of the 5D0 energy level in cesium europium sulfate hydrate, with respect to cesium europium sulfate, is associated with the presence of H2O molecules in the vicinity of Eu3+ ion.
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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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10.

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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11.

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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12.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Chang Sung Lim, Won-Chun Oh, Aleksandrovsky A. S., Atuchin V. V., Molokeev M. S., Oreshonkov A. S.
Заглавие : Microwave employed sol-gel synthesis of Ho3+/Yb3+/Tm3+ tri-doped NaGd(WO4)2 phosphors and their spectroscopic properties for biomedical applications
Коллективы : International Conference on Multifunctional Materials and Application
Место публикации : The 14th Int. Conf. on Multi-functional Mater. and Applicat. - 2020. - P.203-204
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13.

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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14.

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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15.

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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16.

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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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Denisova L. T., Molokeev M. S., Kargin, Yu F., Gerasimov V. P., Krylov A. S., Aleksandrovskii A. S., Chumilina L. G., Denisov V. M., Vasil'ev G. V.
Заглавие : Synthesis, crystal structure, and physicochemical properties of Bi4-xPrxTi3O12 (x=0.4, 0.8, 1.2, 1.6) solid solutions
Место публикации : Inorg. Mater. - 2021. - Vol. 57, Is. 9. - P.919-928. - ISSN 0020-1685, DOI 10.1134/S002016852109003X. - ISSN 1608-3172(eISSN)
Примечания : Cited References: 40
Предметные рубрики: BI4-XRXTI3O12 R-X
HEAT-CAPACITY
AURIVILLIUS PHASES
PR
ND
BI4TI3O12
Аннотация: Bi4–xPrxTi3O12 (x = 0.4, 0.8, 1.2, 1.6) solid solutions have been prepared by solid-state reactions, via multistep firing of stoichiometric mixtures of their constituent oxides in air at temperatures from 1003 to 1323 K. Their crystal structure has been determined using X-ray diffraction, and their luminescence spectra have been measured at room temperature. High-temperature heat capacity of polycrystalline substituted bismuth titanate samples has been determined by differential scanning calorimetry. The Cp(T) curves of the solid solutions with x = 0.4 and 0.8 have extrema related to phase transitions. Experimental data have been used to calculate the main thermodynamic functions of the solid solutions.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Александровский, Александр Сергеевич, Вьюнышев, Андрей Михайлович, Зайцев, Александр Иванович, Иконников, Антон Андреевич, Поспелов Г. И., Ровский В. Е., Слабко, Виталий Васильевич
Заглавие : Преобразование излучения в нелинейном фотонном кристалле тетрабората стронция
Место публикации : Оптика и спектроскопия. - 2011. - Т. 111, № 2. - С. 180-186. - ISSN 0030-4034
ГРНТИ : 29.31
Предметные рубрики:
Аннотация: В нелинейном фотонном кристалле (НФК) тетрабората стронция получена генерация второй гармоники фемтосекундных импульсов в режиме нелинейной дифракции, перестраиваемая в ближнюю ультрафиолетовую область спектра, с максимальной эффективностью 1.9%, а также генерация четвертой гармоники в условиях случайного квазисинхронизма, перестраиваемая в дальнюю ультрафиолетовую область спектра, с максимальной эффективностью 10-5. Эффективность генерации второй гармоники в условиях случайного квазисинхронизма в НФК тетрабората стронция была существенно ниже. Область перестройки излучения четвертой гармоники составила 187.5?232.5 нм. Экспериментально продемонстрирован предсказанный ранее красный сдвиг компонент в спектре генерируемого излучения при повороте НФК.
РИНЦ
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19.

Вид документа : Статья из журнала
Шифр издания : 535.32/58/Г 34
Автор(ы) : Александровский, Александр Сергеевич, ВЬЮНЫШЕВ, Андрей Михайлович, ЗАЙЦЕВ, Александр Иванович, ИКОННИКОВ, Антон Андреевич, ПОСПЕЛОВ, Геннадий Игоревич, РОВСКИЙ, Владимир Евгеньевич, СЛАБКО, Виталий Васильевич
Заглавие : Генерация четвертой гармоники фемтосекундного лазера на титан-сапфире в нелинейном фотонном кристалле тетрабората стронция
Место публикации : Известия высших учебных заведений. Физика. - Томск: Федеральное государственное бюджетное образовательное учреждение высшего профессионального образования Национальный исследовательский Томский государственный университет, 2011. - Т. 54, № 2. - С. 26-29. - ISSN 0021-3411
ГРНТИ : 29.31
УДК : 535.32/58
Предметные рубрики:
Ключевые слова (''Своб.индексиров.''): генерация второй гармоники--случайный квазифазовый синхронизм--нелинейный фотонный кристалл--тетраборат стронция--вакуумный ультрафиолет
Аннотация: Получена перестраиваемая генерация четвертой гармоники излучения фемтосекундного лазера на титан-сапфире в нелинейном фотонном кристалле тетрабората стронция в спектральном диапазоне 187.5-215 нм. Средняя мощность генерируемого излучения достигает 1 мкВт. Эффективность преобразования в 320 раз превышает эффективность несинхронной генерации излучения в монодоменном образце. Спектр генерируемого излучения состоит из серии острых пичков. Наблюдался красный сдвиг спектра генерируемого излучения при повороте нелинейного фотонного кристалла.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Andreev O. V., Atuchin V. V., Aleksandrovsky A. S., Denisenko Y. G., Zakharov B. A., Tyutyunnik A. P., Habibullayev N. N., Velikanov D. A., Ulybin D. A., Shpindyuk D. D.
Заглавие : Synthesis, structure, and properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)
Коллективы : Ministry of Science and Higher Education of the Russian Ferderation [AAAA-A21-121011390011-4, AAAA-A19-119031890025-9]; Government of the Tyumen Region [2. 89-don]
Место публикации : Crystals. - 2022. - Vol. 12, Is. 1. - Ст.17. - ISSN 2073-4352(eISSN), DOI 10.3390/cryst12010017
Примечания : Cited References: 60. - The study was funded by the Ministry of Science and Higher Education of the Russian Ferderation (Projects AAAA-A21-121011390011-4 and AAAA-A19-119031890025-9), as well as the Government of the Tyumen Region (grant to non-profit organizations No. 2. 89-don, dated 7 December 2020)
Предметные рубрики: RARE-EARTH
CRYSTAL-STRUCTURE
MAGNETIC-PROPERTIES
CHALCOGENIDES
Аннотация: EuLnCuSe3 (Ln = Nd, Sm, Gd, Er), due to their complex composition, should be considered new materials with the ability to purposefully change the properties. Samples of the EuLnCuSe3 were prepared using Cu, rare earth metal, Se (99.99%) by the ampoule method. The samples were obtained by the crystallization from a melt and annealed at temperatures 1073 and 1273 K. The EuErCuSe3 crystal structure was established using the single-crystal particle. EuErCuSe3 crystallizes in the orthorhombic system, space group Cmcm, KCuZrS3 structure type, with cell parameters a = 4.0555 (3), b = 13.3570 (9), and c = 10.4602 (7) Å, V = 566.62 (6) Å3. In structure EuErCuSe3, erbium ions are coordinated by selenium ions in the octahedral polyhedron, copper ions are in the tetrahedral coordination, europium ions are between copper and erbium polyhedra layers and are coordinated by selenium ions as two-cap trigonal prisms. The optical band gap is 1.79 eV. At 4.7 K, a transition from the ferrimagnetic state to the paramagnetic state was detected in EuErCuSe3. At 85 and 293 K, the compound is in a paramagnetic state. According to XRPD data, EuLnCuSe3 (Ln = Nd, Sm, Gd) compounds have a Pnma orthorhombic space group of the Eu2CuS3 structure type. For EuSmCuSe3, a = 10.75704 (15) Å, b = 4.11120 (5) Å, c = 13.37778 (22) Å. In the series of EuLnCuSe3 compounds, the optical band gap increases 1.58 eV (Nd), 1.58 eV (Sm), 1.72 eV (Gd), 1.79 eV (Er), the microhardness of the 205 (Nd), 210 (Sm), 225 (Gd) 235 ± 4 HV (Er) phases increases, and the thermal stability of the phases increases significantly. According to the measurement data of differential scanning calorimetry, the EuNdCuSe3 decomposes, according to the solid-phase reaction T = 1296 K, ΔH = 8.2 ± 0.8 kJ/mol. EuSmCuSe3 melts incongruently T = 1449 K, ΔH = 18.8 ± 1.9 kJ/mol. For the EuGdCuSe3, two (Tα↔β = 1494 K, ΔHα↔β = 14.8 kJ/mol, Tβ↔γ = 1530 K, ΔHβ↔γ = 4.8 kJ/mol) and for EuErCuSe3 three polymorphic transitions (Tα↔β = 1561 K, ΔHα↔β = 30.3 kJ/mol, Tβ↔γ = 1579 K, ΔHβ↔γ = 4.4 kJ/mol, and Tγ↔δ = 1600 K, ΔHγ↔δ = 10.1 kJ/mol). The compounds melt incongruently at the temperature of 1588 K, ΔHmelt = 17.9 ± 1.8 kJ/mol and 1664 K, ΔHmelt = 25.6 ± 2.5 kJ/mol, respectively. Incongruent melting of the phases proceeds with the formation of a solid solution of EuSe and a liquid phase.
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