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

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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Vtyurin A.N., Krylov A.S., Gerasimova Ju.V., Ivanenko A.A., Shestakov N.P., Laptash N.M.
Заглавие : Ordering processes and phase transitions in ammonium-containing crystals of A2BWO3F3 elpasolites – com?parative Raman and infrared study
Коллективы : International Seminar on Ferroelastic Physics
Место публикации : The 6th International Seminar on Ferroelastics Physics (ISFP-6): Voronezh, September 22–25, 2009. - С. 23
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shvets P., Krylov A. S., Maksimova K., Goikhman A.
Заглавие : Raman spectroscopy of Wadsley phases of vanadium oxide
Колич.характеристики :14 с
Место публикации : J. Raman Spectrosc. - 2024. - Vol. 55, Is. 4. - P.445-458. - ISSN 03770486 (ISSN), DOI 10.1002/jrs.6644. - ISSN 10974555 (eISSN)
Примечания : Cited References: 133. - This work was prepared with support from the Ministry of Science and Higher Education of the Russian Federation (project FZWM-2020-0008)
Аннотация: We summarize the current knowledge on crystal structures, synthesis, applications, and Raman spectroscopy of Wadsley phases of vanadium oxide, including VO2 (B), V6O13, V4O9, V3O7, and V2O5. While these oxides have garnered significant attention for potential energy storage applications and have been studied for decades, there remains inconsistency in data regarding their characteristic Raman spectra. To address this, we synthesized a series of Wadsley phases by physical vapor deposition of amorphous vanadium oxide films and subsequent annealing in a controlled environment. X-ray diffraction studies confirmed the formation of VO2 (B), V6O13, V4O9, and V3O7. We meticulously measured the room-temperature Raman spectra of these phases, offering robust reference data for the easy identification of vanadium oxides in unknown samples. Finally, we studied low-temperature phase transitions in VO2 (B) and V6O13.
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Вид документа : Статья из журнала
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Автор(ы) : Nikiforov A. A., Krylov A. S., Krylova S. N., Gorshkov V. S., Pelegov D. V.
Заглавие : Temperature Raman study of Li4Ti5O12 and ambiguity in the number of its bands
Колич.характеристики :10 с
Место публикации : J. Raman Spectrosc. - 2024. - Vol. 55, Is. 3. - P.406-415. - ISSN 03770486 (ISSN), DOI 10.1002/jrs.6641. - ISSN 10974555 (eISSN)
Примечания : Cited References: 51. - The research was funded by the Russian Science Foundation (project No 22-22-00350, https://rscf.ru/project/22-22-00350)
Аннотация: The two primary physical methods for identifying lithium titanate, a negative electrode material used commercially, are X-Ray diffraction and Raman spectroscopy. Although there are many publications on this topic, they are focused mainly on chemistry, so there are still some points that require clarification from a physical and methodological point of view. Difference of experimentally observed and theoretically predicted Raman spectra was explained through a combination of experiments and computations. The work comprises experiments and computations to explain why there are different numbers of predicted and observed Raman-active bands. Our low-temperature study and the analysis of thermal shifts during heating led us to conclude that the approach with surplus bands is advantageous and we recommend using major F2g band shifts to estimate the sample heating.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Golovkina E. V., Krylova S. N., Vtyurin A. N., Krylov A. S.
Заглавие : Analyzing the symmetry of the Raman spectra of crystals according to angular dependences
Колич.характеристики :6 с
Место публикации : Bull. Russ. Acad. Sci. Phys. - 2024. - Vol. 88, Is. 5. - P.773-778. - ISSN 10628738 (ISSN), DOI 10.1134/S1062873824706573. - ISSN 19349432 (eISSN)
Примечания : Cited References: 32. - This work was supported by the Russian Foundation for Basic Research, project no. 21-52-12018. The authors are grateful to Dr. Irena Senkovska for providing our DUT-8(Ni) samples
Аннотация: The authors propose a way of reconstructing the Raman tensor by studying the angular dependences of the intensities of the Raman lines of unoriented microcrystals. The technique is verified using familiar calomel Hg2Cl2 crystals. It is shown that the lines on DUT-8 (Ni) crystals indicating phases with open and closed pores have different types of symmetries. The technique can be used to reconstruct the Raman tensor for any unoriented crystalline sample.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Oreshonkov A. S., Aleksandrovsky A. S., Chimitova O.D., Pankin D.V., Popov Z.I., Sukhanova E.V., Molokeev M. S., Adichtchev S.V., Pugachev A.M., Nemtsev I. V.
Заглавие : Solid state synthesis, structural, DFT and spectroscopic analysis of EuAl3(BO3)4
Колич.характеристики :10 с
Место публикации : Mater. Chem. Phys. - 2024. - Vol. 320. - Ст.129400. - ISSN 02540584 (ISSN), DOI 10.1016/j.matchemphys.2024.129400. - ISSN 18793312 (eISSN)
Примечания : Cited References: 55. - The work was carried out within the state assignment No FWES-2024-0003 of Kirensky Institute of Physics. This work was partially supported by the state order of BINM SB RAS (0273-2021-0008). The samples for this research were synthesized using equipment of the CCU BINM SB RAS. The reflectance spectrum was obtained at the Center for Optical and Laser Materials Research of Research park of St. Petersburg State University. The SEM measurements were performed at Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS"
Аннотация: Huntite-like borates are versatile and promising materials with wide range of applications in frequency conversion, UV light generation, lighting, displays, quantum information storage, and more, demonstrated by their various properties and uses in scientific research. In this work, EuAl3(BO3)4 powder was prepared through multi-stage solid-state reaction method using high-purity starting reagents: Eu2O3, Al2O3 and H3BO3, considering a 20 wt% excess of H3BO3 to compensate for B2O3 volatilization. Obtained samples undergo several treatments at varying temperatures and their phase purity is subsequently verified through powder X-ray diffraction analysis. The scanning electron microscopy reveals that resulting EuAl3(BO3)4 powder consists of granules exhibiting irregular morphologies with dimensions of 0.5–8 μm. The electronic band structure of EuAl3(BO3)4, calculated using the GGA PBE method, reveals f-states of Eu near 4 eV. These states do not produce emphasized peaks on simulated absorbance spectra. Using of DFT + U for the f-states of Eu pushed up f-bands above 6 eV and the charge transfer from p-O to d-Eu was obtained (Egdirect = 5.63 eV, Egindirect = 5.37 eV using Ueff = 4 eV). The variation of Ueff has a weak influence on the position of the bottom of the conduction band. The experimental bandgaps of EuAl3(BO3)4 crystalline powder, both direct and indirect, are found to be 3.96 and 3.67 eV, correspondingly. These values are lower than theoretical values what is associated with limitations of DFT calculations involving f electrons. The Raman spectrum of EuAl3(BO3)4 powder is discussed, detailing the contributions of different ions to specific spectral bands. Investigation of high-resolution luminescence spectra shows the possibility to estimate the content of defects by the testing the violation of the prohibition of ultranarrow 5D0 → 7F0 line that is forbidden in the ideal crystalline structure of trigonal EuAl3(BO3)4.
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Вид документа : Статья из журнала
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Автор(ы) : Kirik N., Krylov A. S., Boronin A., Koshcheev S., Solovyov L., Rabchevskii E., Shishkina N., Anshits A.
Заглавие : The relationship between the structural characteristics of α-Fe2O3 catalysts and their lattice oxygen reactivity regarding hydrogen
Место публикации : Materials. - 2023. - Vol. 16, Is. 12: The 15th Anniversary of Materials — Recent Advances in Catalytic Materials. - Ст.4466. - ISSN 19961944 (eISSN), DOI 10.3390/ma16124466
Примечания : Cited References: 63. - This work was conducted within the framework of the budget project for the Institute of Chemistry and Chemical Technology of the Siberian Branch of the Russian Academy of Sciences, Federal Research Center KSC SB RAS, No. FWES–2021–0013
Аннотация: In this paper, the relationship between the structural features of hematite samples calcined in the interval of 800–1100 °C and their reactivity regarding hydrogen studied in the temperature-programmed reaction (TPR-H2) was studied. The oxygen reactivity of the samples decreases with the increasing calcination temperature. The study of calcined hematite samples used X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), X-ray Photoelectron Spectroscopy (XPS), and Raman spectroscopy, and their textural characteristics were studied also. According to XRD results, hematite samples calcined in the temperature range under study are monophase, represented by the α-Fe2O3 phase, in which crystal density increases with increasing calcination temperature. The Raman spectroscopy results also register only the α-Fe2O3 phase; the samples consist of large, well-crystallized particles with smaller particles on their surface, having a significantly lower degree of crystallinity, and their proportion decreases with increasing calcination temperature. XPS results show the α-Fe2O3 surface enriched with Fe2+ ions, whose proportion increases with increasing calcination temperature, which leads to an increase in the lattice oxygen binding energy and a decrease in the α-Fe2O3 reactivity regarding hydrogen.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Habibullayev N. N., Naumov N. G., Lavrov A.N., Kuratieva N. V., Aleksandrovsky A. S., Oreshonkov A. S., Molokeev M. S., Palamarchuk I. V., Yurev I. O., Denisenko Y. G., Andreev O. V., Zakharova A. D.
Заглавие : Magnetic, optical, and thermic properties of SrLnCuSe3 (Ln = Dy, Ho, Er, Tm) compounds
Место публикации : Magnetochemistry. - 2023. - Vol. 9, Is. 8. - Ст.194. - ISSN 23127481 (eISSN), DOI 10.3390/magnetochemistry9080194
Примечания : Cited References: 36. - The study was funded by the Russian Science Foundation, project No. 23-23-00488
Аннотация: SrLnCuSe3 (Ln = Dy, Ho, Er, Tm) compounds crystallize in the Pnma and Cmcm orthorhombic space group and belong to the Eu2CuS3 and KCuZrS3 structural type, respectively. According to a single-crystal XRD study, the SrTmCuSe3 unit cell parameters are a = 4.0631 (4), b = 13.4544 (14), c = 10.4430 (10) A, and V = 570.88 (10) A3. All the studied SrLnCuSe3 samples in the temperature range of 1.77–300 K demonstrate paramagnetic behavior without any features pointing to magnetic ordering. The measured Curie constants coincide with the values expected for Ln3+ ions with good accuracy, which confirms the stoichiometric composition of the samples and the non-magnetic state of the copper ions, Cu1+ (S = 0). The conducted optical absorption study showed that the polycrystalline SrLnCuSe3 (Ln = Dy, Ho, Er, Tm) samples are semiconductors with a direct bandgap ranging from 2.14 eV to 2.31 eV. Two indirect bandgaps were revealed and explained by the presence of optical transitions to highly dispersive subbands in the conduction band. The compounds demonstrate two reversible phase transitions α⇆β, β⇆γ and an incongruent melting at 1606 K (Dy), 1584 K (Ho), 1634 K (Er), and 1620 K (Tm) associated with the formation of solid solutions of SrSe, Cu2-XSe, and Ln2Se3 binary compounds.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smirnov, Mikhail, Roginskii, Evgenii, Savin, Aleksandr, Oreshonkov A. S., Pankin, Dmitrii
Заглавие : Density-functional study of the Si/SiO2 interfaces in short-period superlattices: Vibrational states and Raman spectra
Колич.характеристики :18 с
Место публикации : Photonics. - 2023. - Vol. 10, Is. 8. - Ст.902. - ISSN 23046732 (eISSN), DOI 10.3390/photonics10080902
Примечания : Cited References: 61. - The study was supported by grants from the Russian Science Foundation (project No. 22-22-20021) and the Saint-Petersburg Science Center (project No. 32/2022), using the resources of the Computing Center and the Center for Optical and Laser Materials Research at the Research Park of St. Petersburg State UniversityThe study was performed using the resources of the Computing Center and the Center for Optical and Laser Materials Research at the Research Park of St. Petersburg State University. The authors thank Konstantin Smirnov for his valuable advice. The calculations were also performed in part using the facilities of the JSCC supercomputer center at RAS and the Konstantinov computational center at the Ioffe Institute
Аннотация: Raman spectroscopy has proven its effectiveness as a highly informative and sensitive method for the nondestructive analysis of layered nanostructures and their interfaces. However, there is a lack of information concerning the characteristic phonon modes and their activity in Si/SiO2 nanostructures. In order to overcome this problem, the phonon states and Raman spectra of several Si/SiO2 superlattices (SL) with layer thicknesses varied within 0.5–2 nm are studied using DFT-based computer modeling. Two types of structures with different interfaces between crystalline silicon and SiO2 cristobalite were studied. A relationship between the phonon states of heterosystems and the phonon modes of the initial crystals was established. Estimates of the parameters of deformation potentials are obtained, with the help of which the shifts of phonon frequencies caused by elastic strains in the materials of the SL layers are interpreted. The dependence of intense Raman lines on the SL structure has been studied. Several ways have been proposed to use this information, both for identifying the type of interface and for estimating the structural parameters. The obtained information will be useful for the spectroscopic characterization of the silicon/oxide interfaces.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shchapova, Yuliya V., Krylov A. S., Votyakov, Sergei L.
Заглавие : Structural characteristics of radiation-amorphized ZrSiO4:U,Th according to Raman spectroscopy of Boson peak
Место публикации : J. Raman. Spectrosc. - 2023. - Vol. 54, Is. 6. - P.662-673. - ISSN 03770486 (ISSN), DOI 10.1002/jrs.6526. - ISSN 10974555 (eISSN)
Примечания : Cited References: 66. - The study was carried out within IGG UB RAS State assignment, registration number 123011800012-9 (YVS and SLV). The authors thank Dmitry Zamyatin for performing electron probe microanalysis of zircon chemical composition. The authors are grateful to Olga Galakhova for X-ray diffraction measurements. The equipment of the «Geoanalitik» shared research facilities of the IGG UB RAS was used, the re-equipment and comprehensive development of which is financially supported by the grant of the Ministry of Science and Higher Education of the Russian Federation, Agreement No. 075-15-2021-680 (YVS and SLV). The temperature Raman experiments were performed in the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center ‘Krasnoyarsk Science Center SB RAS’
Аннотация: The structure of the amorphous fraction and the tensile-compressive stressesin amorphous-crystalline radiation-damaged zircon ZrSiO:U,Th depending on radiation dose and temperature (8–350 K) are investigated according to Raman spectroscopy of Boson peak for the first time. The Boson peak at 60–70 cm-1 associated with localized phonon states in the amorphous fraction (fa) is recorded at low temperatures (T ˂ 100 K) for samples with fa ˂ 30% and over the entire temperature range 8–350 K for fa ˃ 70%. The wider localized states distribution in the latter case is considered as a sign of the amorphous phase structure evolution with an increase in radiation dose. The estimates of anatomic correlation radius based on the Ioffe–Regel criterion are similar to those in glasses, Rc2:0 – 2:3 nm. The monotonic increase in Rc value during heating of zircon with fa ˃ 70% is governed by thermal expansion of the percolating amorphous fraction. The nonmonotonic variations of the Rc value in zircon with fa ˂ 30% is determined by the stresses in the amorphous fraction due to the mismatch in thermal expansion coefficient (CTE) and elastic moduli of the amorphous and crystalline phases depending on temperature; a change in the sign of the crystalline fraction CTE at 30 K is assumed. The Boson peak disappearance at 100 K in zircon with fa ˂ 30% during heating conforms to with the violation of the phonon localization as a consequence of amorphous fraction contraction and partial ordering. The data obtained are important for predicting the thermal and mechanical properties of heterogeneous radiation-damaged materials and nanocomposites.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Grossman V., Atuchin V. V., Bazarov B. G., Aleksandrovsky A. S., Eremin E. V., Krylov A. S., Kuratieva N., Bazarova J. G., Maximov N., Molokeev M. S., Oreshonkov A. S., Pervukhina N., Shestakov N. P.
Заглавие : Structural, spectroscopic, electric and magnetic properties of new trigonal K5FeHf(MoO4)6 orthomolybdate
Место публикации : Molecules. - 2023. - Vol. 28, Is. 4. - Ст.1629. - ISSN 14203049 (eISSN), DOI 10.3390/molecules28041629
Примечания : Cited References: 82. - This work was supported by the state order of BINM SB RAS (0273-2021-0008), IIC (121031700318-8), ISP (FWGW-2022-0006) and the Russian Science Foundation (21-19-00046). The research was granted by the Government of the Russian Federation (075-15-2022-1132)
Аннотация: A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction method. The characterization of the electronic and vibrational properties of the K5FeHf(MoO4)6 was performed using density functional theory calculations, group theory, Raman and infrared spectroscopy. The vibrational spectra are dominated by vibrations of the MoO4 tetrahedra, while the lattice modes are observed in a low-wavenumber part of the spectra. The experimental gap in the phonon spectra between 450 and 700 cm−1 is in a good agreement with the simulated phonon density of the states. K5FeHf(MoO4)6 is a paramagnetic down to 4.2 K. The negative Curie–Weiss temperature of −6.7 K indicates dominant antiferromagnetic interactions in the compound. The direct and indirect optical bandgaps of K5FeHf(MoO4)6 are 2.97 and 3.21 eV, respectively. The K5FeHf(MoO4)6 bandgap narrowing, with respect to the variety of known molybdates and the ab initio calculations, is explained by the presence of Mott-Hubbard optical excitation in the system of Fe3+ ions.
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11.

Вид документа : Статья из журнала
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Автор(ы) : Lim, Chang S., Aleksandrovsky A. S., Molokeev M. S., Oreshonkov A. S., Atuchin V.
Заглавие : Structural and spectroscopic effects of Li+ substitution for Na+ in LixNa1–xCaLa0.5Er0.05Yb0.45(MoO4)3 upconversion scheelite-type phosphors
Место публикации : Crystals. - 2023. - Vol. 13, Is. 2. - Ст.362. - ISSN 20734352 (eISSN), DOI 10.3390/cryst13020362
Примечания : Cited References: 63. - This study was funded by the Research Program through the Campus Research Foundation funded by Hanseo University in 2022 (2022046)
Аннотация: New triple molybdates LixNa1−xCaLa0.5(MoO4)3:Er3+0.05/Yb3+0.45 (x = 0, 0.05, 0.1, 0.2, 0.3) were manufactured successfully using the microwave-assisted sol-gel-based technique (MAS). Their room-temperature crystal structures were determined in space group I41/a by Rietveld analysis. The compounds were found to have a scheelite-type structure. In Li-substituted samples, the sites of big cations were occupied by a mixture of (Li, Na, La, Er, Yb) ions, which provided a linear cell volume decrease with the Li content increase. The increased upconversion (UC) efficiency and Raman spectroscopic properties of the phosphors were discussed in detail. The mechanism of optimization of upconversion luminescence upon Li content variation was shown to be due to the control of excitation/energy transfer channel, while the control of luminescence channels played a minor role. The UC luminescence maximized at lithium content x = 0.05. The mechanism of UC optimization was shown to be due to the control of excitation/energy transfer channel, while the control of luminescence channels played a minor role. Over the whole spectral range, the Raman spectra of LixNa1−xCaLa0.5(MoO4)3 doped with Er3+ and Yb3+ ions were totally superimposed with the luminescence signal of Er3+ ions, and increasing the Li+ content resulted in the difference of Er3+ multiple intensity. The density functional theory calculations with the account for the structural disorder in the system of Li, Na, Ca, La, Er and Yb ions revealed the bandgap variation from 3.99 to 4.137 eV due to the changing of Li content. It was found that the direct electronic transition energy was close to the indirect one for all compounds. The determined chromaticity points (ICP) of the LiNaCaLa(MoO4)3:Er3+,Yb3+ phosphors were in good relation to the equal-energy point in the standard CIE (Commission Internationale de L’Eclairage) coordinates.
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12.

Вид документа : Статья из журнала
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Автор(ы) : Arkhipkin V. G., Ikonnikov D. A., Myslivets S. A.
Заглавие : Diffraction of a Laguerre-Gaussian beam in Raman interaction with a spatially periodic pump field
Место публикации : Phys. Rev. A. - 2023. - Vol. 107, Is. 2. - Ст.023519. - ISSN 24699926 (ISSN), DOI 10.1103/PhysRevA.107.023519. - ISSN 24699934 (eISSN)
Примечания : Cited References: 35. - This work was supported by the Russian Science Foundation (Grant No. 19-12-00203)
Аннотация: We studied Fresnel diffraction of a Laguerre-Gaussian beam LGp,l with arbitrary azimuthal l and radial p indices on a grating induced during its Raman interaction with a spatially periodic pump field in an atomic medium. The diffraction pattern turned out to be more complex than the classical Talbot effect observed when a plane wave illuminates a two-dimensional grating. The simulation results show that, under certain conditions, at distances corresponding to the classical Talbot planes (integer and fractional), periodic amplitude-phase distributions appear. The diffraction patterns are not a probe-field image in the induced grating plane, but a regular array of vortex annular-shaped microbeams with an inhomogeneous intensity distribution depending on the l and p indices and with a topological charge equal to that of the initial probe beam. The intensity and spatial distribution of diffraction patterns can be controlled by Raman amplification in the induced grating by varying the pump-field intensity or the Raman detuning.
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13.

Вид документа : Статья из журнала
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Автор(ы) : Oreshonkov A. S., Sukhanova E. V., Popov Z. I.
Заглавие : Phonon dynamics in MoSi2N4: insights from DFT calculations
Колич.характеристики :11 с
Место публикации : Phys. Chem. Chem. Phys. - 2023. - Vol. 25, Is. 43. - P.29831-29841. - ISSN 14639076 (ISSN), DOI 10.1039/D3CP02921B. - ISSN 14639084 (eISSN)
Примечания : Cited References: 74. - The authors acknowledge financial support from Russian Science Foundation (project №21-73-20183, https://rscf.ru/project/21-73-20183/)
Аннотация: We have reported the density functional theory investigations on the monolayer, 2 layered and bulk MoSi2N4 in three structural modifications called as α1 [Science, DOI: 10.1126/science.abb7023], α2 and α3 [Adv. Funct. Mater., DOI: 10.1002/adfm.202214050]. We showed that in the case of monolayers the difference in total energies is less than 0.1 eV between α1 and α3 phases, and less than 0.2 eV between α1 and α2 geometries. The most energetically favorable layer stacking for the bulk structures of each phase was investigated. All considered modifications are dynamically stable from a single layer to a bulk structure in energetically favorable stacking. Raman spectra for the monolayer, 2 layered and bulk structures were simulated and the vibrational analysis was performed. The main difference between in the obtained spectra is associated with the position of the strongest band which depends on the Mo-N bond length. According to the obtained data, we can conclude that Raman line at 348 cm–1 in the experimental spectra of MoSi2N4, can have more complex explanation then just Γ-point Raman-active vibration as was discussed before in [Science, DOI: 10.1126/science.abb7023].
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Moshkina E. M., Eremin E. V., Molokeev M. S., Kokh, Dieter, Krylov A. S.
Заглавие : Flux growth and Raman spectroscopy study of Cu2CrBO5 crystals
Колич.характеристики :15 с
Место публикации : Crystals. - 2023. - Vol. 13, Is. 10. - Ст.1415. - ISSN 20734352 (eISSN), DOI 10.3390/cryst13101415
Примечания : Cited References: 24. - The study was supported by a grant from the Russian Science Foundation and the Krasnoyarsk Regional Science Foundation No. 22-12-20019; https://rscf.ru/project/22-12-20019/
Аннотация: Multicomponent flux systems based on both Li2WO4-B2O3-Li2O-CuO-Cr2O3 and Bi2O3-MoO3-B2O3-Na2O-CuO-Cr2O3 were studied in order to grow Cu2CrBO5 crystals. The conditions for Cu2CrBO5 crystallization were investigated by varyingthe component ratios, and the peculiarities of their interaction were characterized by studying the formation sequence of high-temperature crystallizing phases. Special attention was paid to the problem of Cr2O3 solubility. Phase boundaries between CuCrO2, Cu2CrO4, and Cu2CrBO5 were considered. The crystal structure of the obtained samples was studied viasingle crystal and powder X-ray diffraction. The chemical composition of the grown crystals was examined using the EDX technique. Anactual ratio of Cu:Cr = 1.89:1.11 was found for Cu2CrBO5 grown from the lithium-tungstate system, which showed a small deviation from 2:1, implying the presence of a part of bivalent Cr2+ in the samples. Anomalies in the thermal dependence of magnetization were analyzed and compared with the previously obtained data for Cu2CrBO5. The anomaly at TC ≈ 42 K and the antiferromagnetic phase transition at TN ≈ 119 K were considered. Polarized Raman spectra of Cu2CrBO5 were obtained for the first time, and a comparative analysis of the obtained data with other monoclinic and orthorhombic ludwigites is presented. Along with the polarized room temperature spectra, the thermal evolution of Raman modes near the antiferromagnetic phase transition temperature TN ≈ 119 K is provided. The influence of the magnetic phase transition on the Raman spectra of Cu2CrBO5 is discussed.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Vtyurin A. N., Gudim I. A., Nemtsev I. V., Krylova S. N.
Заглавие : Phase diagram and soft modes behavior TbFe3–xGax(BO3)4 solid solutions with huntite structure
Колич.характеристики :9 с
Место публикации : Opt. Spectrosc. - 2023. - Vol. 131, Is. 9. - P.840-848. - ISSN 0030400X (ISSN), DOI 10.1134/S0030400X23070081. - ISSN 15626911 (eISSN)
Примечания : Cited References: 40. - The authors are grateful to the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory and the Krasnoyarsk Regional Science Foundation for funding within the framework of the scientific project, grant no. 20-42-240009 r_a_Krasnoyarsk, as well as the Russian Foundation for Basic Research and the German Scientific Research Community (Deutsche Forschungsgemeinschaft) for financial support within the project no. 21-52-12018 NNIO_a
Аннотация: The Raman spectra of four crystals of TbFe3–xGax(BO3)4 solid solutions (x from 0 to 0.54) were studied in the temperature range from 8 to 350 K. The temperatures of structural phase transitions were determined. The observed spectral behavior is characteristic to condensation and restoration of soft modes. Soft modes are associated with a structural phase transition from the R32 phase to the P3121 phase. The Compositions-Temperature phase diagram was constructed.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Slyusarenko N. V., Yushina I. D., Slyusareva E. A., Golovkina E. V., Krylova S. N., Vtyurin A. N., Krylov A. S.
Заглавие : Determination of the pore direction in a crystalline metal-organic framework by Raman spectroscopy and periodic calculations based on the electron density functional theory
Колич.характеристики :10 с
Место публикации : Optoelectron. Instrum. Data Process. - 2023. - Vol. 59, Is. 6. - P.693-702. - ISSN 87566990 (ISSN), DOI 10.3103/S8756699023060134. - ISSN 19347944 (eISSN)
Примечания : Cited References: 32. - This work was supported by the Russian Foundation for Basic Research (Russian Center of Scientific Information), project no. 21-52-12018We are grateful to Dr. Irena Senkovska for the presented DUT-8 (Ni, Co) samples
Аннотация: A method for the determination of pore orientation in metal-organic framework structures by polarized Raman spectra is proposed. The method involves sensitivity of the line intensity of Raman scattering to the geometry of propagation in a crystal. The operability of the method is shown by DUT-8 (Ni, Co) crystals. The obtained results are interpreted based on analysis of symmetry and direction of vibrations within periodic calculations of the electron density functional theory. The simultaneous approach allowed us to describe the vibrations and to find the principal crystal orientation collinear to the pore direction. The information on the pore orientation is necessary for problems of adsorption and design of complex multicomponent materials based on metal-organic framework.
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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Nikiforov A. A., Krylov A. S., Pelegov D. V.
Заглавие : Raman spectra interpretation for Li4Ti5O12 with a spinel structure
Коллективы : Уральский Федеральный университет им. Первого Президента России Б.Н. Ельцина, Ural Federal University, "Materials science and nanotechnology", International conference
Место публикации : Materials Science and Nanotechnology (MSN-2023): abstract book of International conference/ Ural Federal University; org. com. A. N. Vtyurin et al. - Ekaterinburg, 2023. - Ст.P26. - P.110. - ISBN 978-5-9500624-6-9
Примечания : Russian Science Foundation (No 22-22-00350
Материалы конференции,
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ryabin A. A., Krylov A. S., Krylova S. N., Kiselev E. A., Pelegov D. V.
Заглавие : Thermal evolution of LiCoO2 structure and Raman spectra below 400 °C
Колич.характеристики :9 с
Место публикации : J. Chem. Phys. - 2023. - Vol. 159, Is. 8. - Ст.084706. - ISSN 00219606 (ISSN), DOI 10.1063/5.0164135. - ISSN 10897690 (eISSN)
Примечания : Cited References: 60. - The research was funded by the Russian Science Foundation (Project No. 22-22-00350, https://rscf.ru/project/22-22-00350). The Raman spectra measurements were made using equipment of the Ural Center for Shared Use “Modern nanotechnology” Ural Federal University (Reg. No. 2968), supported by the Ministry of Science and Higher Education of the Russian Federation (Project No. 075-15-2021-677). Authors warmly thank Professor Jongwoo Lim (Seoul National University) for samples, reading the manuscript, and providing his valuable comments
Аннотация: Lithium cobalt oxide is a convenient model material for the vast family of cathode materials with a layered structure and still retains some commercial perspectives for microbatteries and some other applications. In this work, we have used ab initio calculations, x-ray diffraction, Raman spectroscopy, and a theoretical physical model, based on quasi-harmonic approximation with anharmonic contributions of the three-phonon and four-phonon processes, to study a temperature-induced change of Raman spectra for LiCoO2. The obtained values of shift and broadening for Eg and A1g bands can be used for quantitative characterization of temperature change, for example, due to laser-induced heating during Raman spectra measurements. The theoretical analysis of the experimental results lets us conclude that Raman spectra changes for LiCoO2 can be explained by the combination of thermal expansion of the crystal lattice and phonon damping by anharmonic coupling with comparable contributions of the three-phonon and four-phonon processes. The obtained results can be further used to develop Raman-based quality control tools.
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Yu. V., Aleksandrovsky A. S., Laptash N. M., Krylov A. S., Gerasimov M. A., Dubrovskiy A. A.
Заглавие : Raman scattering, absorption and luminescence spectroscopy of CoSiF6·6H2O crystal and CoSiF6·6H2O:Mn4+ red-emitting phosphor
Колич.характеристики :6 с
Место публикации : Opt. Mater. - 2023. - Vol. 144. - Ст.114343. - ISSN 09253467 (ISSN), DOI 10.1016/j.optmat.2023.114343. - ISSN 18731252 (eISSN)
Примечания : Cited References: 30. - The reported study was funded by Russian Science Foundation , Government of Krasnoyarsk Territory and Krasnoyarsk Regional Foundation of Science according to the research project ‘‘Synthesis, spectral and magnetic properties of ABF6·6H2O systems, new materials for photonics.” No. 23-22-10037 . https://rscf.ru/en/project/23-22-10037/ . Usage of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS is acknowledged. We thank A. Yu. Mamaev for recording the luminesce spectra of CoSiF6·6H2O:Mn 4+
Аннотация: CoSiF6·6H2O and CoSiF6·6H2O:Mn4+ crystals were investigated by means of Raman, optical absorption, and luminescence spectroscopy. Absorption spectra of CoSiF6·6H2O are analyzed by Tanabe-Sugano technique and are proved to be well-describable at crystal field strength Dq = 1000 cm−1, and Racah parameters B = 896 cm−1, C = 4408 cm−1, Dq/B = 1.116. Raman spectroscopy reveals a phase transition associated with the ordering of both the CoO6 and SiF6 octahedra, which occurs through the ordering of the H2O subsystem. Luminescence spectrum of Mn4+ ions in CoSiF6·6H2O lattice consists of six components corresponding to Stokes and anti-Stokes emission from 2E state of Mn4+ ion at vibrational frequencies of MnF6 octahedron ν6 = 230 cm−1, ν4 = 335 cm−1, and ν3 = 645 cm−1. Quantum efficiency of red emission maximizes at excitation wavelength 357 nm and equals to 5%. Decrease of quantum efficiency in comparison to other related materials is explained by absorption of Co2+ ions and non-radiative relaxation in the Co2+ subsystem.
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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Yushina, Irina, Slyusareva, Evgenia, Krylova S. N., Vtyurin A. N., Kaskel, Stefan, Senkovska, Irena
Заглавие : Structural phase transitions in flexible DUT-8(Ni) under high hydrostatic pressure
Коллективы : RFBR (Russian Foundation for Basic Research)Russian Foundation for Basic Research (RFBR) [21-52-12018]; DFG (Deutsche Forschungsgemeinschaft)German Research Foundation (DFG) [448809307]
Место публикации : Phys. Chem. Chem. Phys. - 2022. - Vol. 24, Is. 6. - P.3788-3798. - ISSN 1463-9076, DOI 10.1039/d1cp05021d. - ISSN 1463-9084(eISSN)
Примечания : Cited References: 57. - This work was financially supported by the RFBR (Russian Foundation for Basic Research, project number: 21-52-12018) and DFG (Deutsche Forschungsgemeinschaft, project number: 448809307). The Raman and high hydrostatic pressure experiments were performed in the Center for Common Use of the Krasnoyarsk Scientific Center SB RAS. The authors thank M. Maliuta for sample synthesis and characterisation
Предметные рубрики: METAL-ORGANIC FRAMEWORK
RAMAN-SPECTROSCOPY
PORE-SIZE
AMORPHIZATION
Аннотация: The behaviours of the open pore (op) and closed pore (cp) phases of the flexible Ni2(ndc)2(dabco) (ndc – 2,6-naphthalene dicarboxylate, dabco – 1,4-diazabicyclo[2.2.2]octane, DUT-8(Ni)) metal–organic framework under high hydrostatic pressures up to 10 GPa in isopropanol and silicone oil were studied by Raman spectroscopy. Ab initio simulations of vibrational spectra were performed for the open and closed pore phases, which allowed us to disclose the characteristic vibrational modes affected by the structural transitions under pressure. Analysis of theoretical and experimental Raman data suggests that the op–cp transition involves gateway vibrations at 25 and 67 cm−1, corresponding to trampoline/rotational motions of aromatic linkers. The experiments reveal the formation of new distorted cp phases at pressures higher than 2 GPa, which are formed without amorphisation. The transition between the cp phase and the distorted cp phase is reversible. The experiments also reveal the pivotal role of the pressure transmitting medium on the phase transition behaviour.
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