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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aplesnin S. S., Udod L. V., Sitnikov M. N., Kretinin V. V., Molokeev M. S., Mironova-Ulmane N.
Заглавие : Dipole glass in chromium-substituted bismuth pyrostannate
Коллективы : Russian Foundation for Basic Research [N 18-52-00009 Bel_a, 18-32-00079 mol_a, 3.5743.2017/6.7]
Место публикации : Mater. Res. Express. - 2018. - Vol. 5, Is. 11. - Ст.115202. - ISSN 2053-1591, DOI 10.1088/2053-1591/aaddd9
Примечания : Cited References: 33. - This study was supported by the Russian Foundation for Basic Research project N 18-52-00009 Bel_a, No 18-32-00079 mol_a, the state order No 3.5743.2017/6.7.
Предметные рубрики: BI4TI3O12 THIN-FILMS
NEUTRON-DIFFRACTION
RAMAN-SPECTROSCOPY
BI2SN2O7
Ключевые слова (''Своб.индексиров.''): dipole glass--permittivity--polarization--raman scattering spectra--structural transition
Аннотация: To establish the existence of dipole glass in the chromium-substituted bismuth pyrostannate solid solutions, the frequency and temperature dependences of the permittivity have been measured in the temperature range of 300–750 K. The field and dynamic dependences of polarization in the temperature range of 80–550 K have been determined. Using the Raman scattering spectra, the absence of inversion center has been established. The maximum of electrical resistance has been found in the vicinity of the dipole moment freezing point. The carrier type has been determined from the thermopower data. The polarization relaxation is shown to be nonexponential. The experimental data are explained within the model of dipole glass in the α- phase and the model of charged crystalline domain walls with the electron-polarization relaxation mechanism above the α–β structural transition.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Prosnikov M. A., Smirnov A. N., Davydov, V. Yu, Sablina K. A., Pisarev R. V.
Заглавие : Lattice and magnetic dynamics of a quasi-one-dimensional chain antiferromagnet PbFeBO4
Коллективы : Russian Science Foundation [16-12-10456]
Место публикации : J. Phys.: Condens. Matter: IOP Publishing, 2017. - Vol. 29, Is. 2. - Ст.025808. - ISSN 0953-8984, DOI 10.1088/0953-8984/29/2/025808. - ISSN 1361-648X(eISSN)
Примечания : Cited References:32. - This research was supported by the Russian Science Foundation, grant No. 16-12-10456.
Предметные рубрики: LIGHT-SCATTERING
DIELECTRIC-PROPERTIES
RAMAN-SPECTROSCOPY
Ключевые слова (''Своб.индексиров.''): raman scattering--spin and phonon excitations--spin-phonon interaction--antiferromagnetism--magnetic symmetry analysis--two-magnon scattering
Аннотация: A group of recently synthesized orthorhombic Pnma crystals PbMBO4 (M = Cr, Mn, Fe) demonstrates a number of unusual structural and magnetic properties. We report on polarized Raman scattering study of the lattice and magnetic dynamics in single crystals of an antiferromagnet PbFeBO4 below and above T-N = 114 K. Polarization properties of the observed magnetic excitations below T-N as well as intense quasi-elastic scattering support the quasi-one-dimensional character of the magnetic structure of PbFeBO4. Frequency overlapping of magnetic excitations and low-frequency phonons in the range of 90-200 cm-1 leads to pronounced asymmetric anomalies thus confirming intrinsic coupling of magnetic and lattice subsystems. This conclusion is also supported by observation of anomalous temperature behaviour of higher frequency phonons in the vicinity of T-N. Experimental investigations are supported by relevant magnetic symmetry analysis which allows us to explain previously observed anomalous results.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smirnov M. B., Roginskii E. M., Kazimirov V. Y., Smirnov K. S., Baddour-Hadjean R., Pereira-Ramos J. P., Zhandun V. S.
Заглавие : Spectroscopic and computational study of structural changes in γ-LiV2O5 cathodic material induced by lithium intercalation
Место публикации : J. Phys. Chem. C: American Chemical Society, 2015. - Vol. 119, Is. 36. - P.20801-20809. - ISSN 1932-7447, DOI 10.1021/acs.jpcc.5b05540
Примечания : Cited References: 36. - This work was supported by the international collaboration program between the Centre National de la Recherche Scientifique (CNRS) of France and the Russian Foundation for Basic Research (RFBR), LIBASTRAM CNRS Project 6094, and RFBR Grant 13-03-91052.
Предметные рубрики: AUGMENTED-WAVE METHOD
LIXV2O5 SYSTEM
AB-INITIO
VANADIUM PENTOXIDE
RAMAN-SPECTROSCOPY
LI INTERCALATION
OXIDE
V2O5
TRANSITION
TRANSITION
Аннотация: Structure, electronic states, and vibrational dynamics of γ-LiV2O5 were studied by combined use of quantum-chemical calculations and Raman spectroscopy. The spin-polarized DFT+U calculations correctly mimic the structural changes induced by the Li intercalation into the V2O5 framework. The analysis of the density of electronic states shows that the electrons of Li atoms are transferred to the Vb atoms and are aligned in ferromagnetic order. The charge distribution in the system reflects the change of valence state of the Vb atoms from 5+ to 4+, and it is in line with changes of Vb–O bond lengths. The calculated Raman spectrum of the γ-LiV2O5 structure is in line with the experimental Raman spectra that allows a reliable assignment of all prominent Raman peaks. Comparison of the spectra of γ-LiV2O5 and γ'-V2O5 indicates spectral signatures of structural changes induced by the Li insertion into the γ'-V2O5 lattice. Results of the study present the opportunity of using Raman spectroscopy for characterization of structural modifications of the vanadate framework upon intercalation of guest species.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Savina A. A., Atuchin V. V., Solodovnikov S. F., Solodovnikova Z. A., Krylov A. S., Maximovsky E. A., Molokeev M. S., Oreshonkov A. S., Pugachev A. M., Khaikina E. G.
Заглавие : Synthesis, structural and spectroscopic properties of acentric triple molybdate Cs2NaBi(MoO4)3
Коллективы : Russian Foundation for Basic Research [4828.2012.2, 12-02-31205]; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" [8379]
Место публикации : J. Solid State Chem. - 2015. - Vol. 225. - P.53–58. - ISSN 0022-4596, DOI 10.1016/j.jssc.2014.11.023. - ISSN 1095-726X
Примечания : Cited References: 66. - The authors are grateful to Dr. K.M. Khal'baeva and Dr. Irina A. Gudkova for their assistance in preparing the compound and taking X-ray single-crystal diffraction data. This study is partly supported by the Russian Foundation for Basic Research (Grants 13-03-01020 and 14-03-00298). V.V.A., A.S.K. and A.S.O. gratefully acknowledge the Ministry of Education and Science of the Russian Federation for a partial financial support.
Предметные рубрики: CRYSTAL-STRUCTURE
SINGLE-CRYSTALS
VIBRATIONAL PROPERTIES
RAMAN-SPECTROSCOPY
HYDROTHERMAL SYNTHESIS
DIELECTRIC-PROPERTIES
SELECTIVE OXIDATION;
BISMUTH MOLYBDATES
IONIC-CONDUCTIVITY
OPTICAL-PROPERTIES
Ключевые слова (''Своб.индексиров.''): triple molybdate--sodium--cesium--bismuth--crystal structure--raman spectroscopy--crystal-structure--single-crystals--vibrational properties--raman-spectroscopy--hydrothermal synthesis--dielectric-properties--selective oxidation;--bismuth molybdates--ionic-conductivity--optical-properties
Аннотация: New ternary molybdate Cs2NaBi(MoO4)3 is synthesized in the system Na2MoO4–Cs2MoO4–Bi2(MoO4)3. The structure of Cs2NaBi(MoO4)3 of a new type is determined in noncentrosymmetric space group R3c, a=10.6435(2), c=40.9524(7) Å, V=4017.71(13) Å3, Z=12 in anisotropic approximation for all atoms taking into account racemic twinning. The structure is completely ordered, Mo atoms are tetrahedrally coordinated, Bi(1) and Bi(2) atoms are in octahedra, and Na(1) and Na(2) atoms have a distorted trigonal prismatic coordination. The Cs(1) and Cs(2) atoms are in the framework cavities with coordination numbers 12 and 10, respectively. No phase transitions were found in Cs2NaBi(MoO4)3 up to the melting point at 826 K. The compound shows an SHG signal, I2w/I2w(SiO2)=5 estimated by the powder method. The vibrational properties are evaluated by Raman spectroscopy, and 26 narrow lines are measured.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Voronov V. N., Vtyurin A. N., Krylov A. S., Molokeev M. S., Pavlovskii M. S., Goryainov S. V., Likhacheva A. Y., Ancharov A. I.
Заглавие : Pressure-induced phase transition in the cubic ScF3 crystal
Коллективы : Russian Academy of Sciences (Siberian Branch)
Место публикации : Phys. Solid State. - 2009. - Vol. 51, Is. 4. - P.810-816. - ISSN 1063-7834, DOI 10.1134/S1063783409040295
Примечания : Cited References: 22. - The authors are grateful to V.I. Zinenko for helpful discussion of the results.This work was conducted in the framework of Integration Project (no. 3.7) of the Russian Academy of Sciences (Siberian Branch).
Предметные рубрики: RAMAN-SPECTROSCOPY
POWDER DIFFRACTION
LATTICE-DYNAMICS
SCATTERING
Аннотация: Pressure-induced phase transitions in the ScF3 crystal were studied using synchrotron radiation diffraction, polarization microscopy, and Raman spectroscopy. The phase existing in the range 0.6-3.0 GPa is optically anisotropic; its structure is described by space group R (3) c (Z = 2), and the transition is due to rotation of ScF6 octahedra around a threefold axis. The pressure dependence of the structural parameters and angle of rotation are determined. The number of Raman spectral lines corresponds to that expected for this structure; above the phase transition point, a recovery of soft modes takes place. At a pressure of 3.0 GPa, a transition occurs to a new phase, which remains metastable as the pressure decreases. The results are interpreted using an ab initio method based on the Gordon-Kim approach.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Voronov V. N., Vtyurin A. N., Goryainov S. V., Zamkova N. G., Zinenko V. I., Krylov A. S.
Заглавие : Lattice dynamics and hydrostatic-pressure-induced phase transitions in ScF3
Место публикации : J. Exp. Theor. Phys.: American Institute of Physics, 2002. - Vol. 94, Is. 5. - P.977-984. - ISSN 1063-7761, DOI 10.1134/1.1484991
Примечания : Cited References: 20
Предметные рубрики: RAMAN-SPECTROSCOPY
CRYSTALS
SCATTERING
Аннотация: New phase transitions induced by hydrostatic pressure in a cubic (under standard conditions) ScF3 crystal are discovered by the methods of polarization microscopy and Raman scattering. The space groups R (3) over barc for Z = 2 and Pnma for Z = 4 are proposed for the high-pressure phases. A nonempirical computation of the lattice dynamics of the crystal is carried out. It is shown that, under normal pressure, the cubic phase is stable down to T = 0 K, while the application of a hydrostatic pressure gives rise to a phonon branch in the vibrational spectrum (between points R and M of the Brillouin zone) with negative values of squares of frequencies. The condensation of soft mode R-5 at the boundary point of the Brillouin zone leads to rhombohedral distortion of the cubic structure with the unit cell volume doubling. The calculated frequencies at q = 0 of the ScF3 lattice in the distorted rhombohedral phase are real-valued; the number and position of frequencies active in Raman scattering are in accord with the experimental values. (C) 2002 MAIK "Nauka/Interperiodica".
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