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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Isaenko L. I., Kesler V. G., Lin Z. S., Molokeev M. S., Yelisseyev A. P., Zhurkov S. A.
Заглавие : Exploration on anion ordering, optical properties and electronic structure in K3WO3F3 elpasolite
Место публикации : J. Solid State Chem. - 2012. - Vol. 187. - P.159-164. - ISSN 0022-4596, DOI 10.1016/j.jssc.2011.12.037
Примечания : Cited References: 50. - This study is partly supported by SB RAS Project No. 34. ZSL acknowledges the funding support of No. 91022036, 11174297, 2010CB630701, and 2011CB922204 in China. Authors also wish to thank V. D. Fokina for microcaloric measurements.
Предметные рубрики: PHASE-TRANSITIONS
CRYSTAL-GROWTH
FERROELECTRIC K3WO3F3
SOLID-STATE
OXYFLUORIDE
FLUORIDE
POLAR
CS
(NH4)(3)MOO3F3
APPROXIMATION
Anion ordering
Chemical routes
Elpasolite
First-priciples calculation
Forbidden band
Low temperatures
Non-linear optical coefficients
Nonlinear optical crystal
Optical transparency
Oxyfluorotungstate
Room temperature
Ключевые слова (''Своб.индексиров.''): oxyfluorotungstate--structure--nonlinear optical crystals--electronic and optical properties--first-principles calculations
Аннотация: Room-temperature modification of potassium oxyfluorotungstate, G(2)-K3WO3F3, has been prepared by low-temperature chemical route and single crystal growth. Wide optical transparency range of 0.3-9.4 mu m and forbidden band gap E-g=4.32 eV have been obtained for G(2)-K3WO3F3 crystal. Meanwhile, its electronic structure has been calculated with the first-principles calculations. The good agreement between the theorectical and experimental results have been achieved. Furthermore, G(2)-K3WO3F3 is predicted to possess the relatively large nonlinear optical coefficients. (C) 2012 Elsevier Inc. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Merkushova E. M., Vtyurin A. N., Isaenko L. I.
Заглавие : Raman spectroscopic study of the lattice dynamics in the Rb2KMoO3F3 oxyfluoride
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 54, Is. 6. - P.1275-1280. - ISSN 1063-7834, DOI 10.1134/S1063783412060170
Примечания : Cited References: 24. - This study was supported by the Russian Foundation for Basic Research (project nos. 11-02-98002-r_sibir', 09-02-00062, and NSh-4645.2010.2).
Предметные рубрики: PHASE-TRANSITIONS
SCATTERING
(NH4)3WO3F3
CRYSTALS
DISORDER
Cs
Аннотация: The lattice dynamics of the Rb2KMoO3F3 oxyfluoride has been studied by Raman spectroscopy in the temperature range 7–400 K. A phase transition has been revealed at T ≈ 185 K with decreasing temperature. Anomalies of the frequencies and Raman line half-widths have been analyzed. No condensation of soft lattice modes has been found. The character of changes in the Raman spectra of the Rb2KMoO3F3 oxyfluoride shows that the phase transition is related to variations in the [MoO3F3]3− molecular octahedron.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Sofronova S. N., Kolesnikova E. M., Vtyurin A. N., Isaenko L. I.
Заглавие : Lattice dynamics of oxyfluoride Rb2KMoO3F3
Коллективы : International Symposium on Ferroic Domains and Micro- to Nanoscopic Structures, Russia/CIS/Baltic/Japan Symposium on Ferroelectricity
Место публикации : Ferroelectrics: Taylor & Francis LTD, 2012. - Vol. 441. - P.52-60. - ISSN 0015-0193, DOI 10.1080/00150193.2012.743791
Примечания : Cited References: 23
Предметные рубрики: PHASE-TRANSITIONS
RAMAN-SCATTERING
ELPASOLITE
CRYSTALS
DISORDER
SPECTRA
CS
Ключевые слова (''Своб.индексиров.''): oxyfluorides--lattice dynamics--ramam measurements
Аннотация: The complete Raman spectra of oxyfluoride Rb2KMoO 3F3 were obtained. At T ≈ 185 K phase transitions were found. Lattice dynamics of disordered structures of the investigated compound was simulated, and "soft" vibrational modes were found in the calculated spectrum. Copyright © Taylor & Francis Group, LLC.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ivliev M. P., Misyul S. V., Molokeev M. S., Sakhnenko V. P.
Заглавие : Pseudo-proper ferroelectric phase transitions in oxyfluoride K3WO3F3
Место публикации : Phase Transit.: Taylor & Francis, 2014. - Vol. 87, Is. 6. - P.592-602. - ISSN 0141-1594, DOI 10.1080/01411594.2013.878026. - ISSN 1029-0338
Примечания : Cited References: 14. - This study was supported by the of the President of the Russian Federation for the Support of Leading Scientific Schools [Grant NSh-924.2014.2].
Предметные рубрики: TRANSFORMATIONS
(NH4)(3)MOO3F3
(NH4)(3)WO3F3
CS
Ключевые слова (''Своб.индексиров.''): phase transition--statistical mechanics--order-disorder--ferroelectric--transformations--(nh4)(3)moo3f3--(nh4)(3)wo3f3--cs
Аннотация: Based on the structural data on the phases of cryolite (ordered perovskite) K3WO3F3, we develop a statistical model, which allows to describe the sequence of phase transitions observed in this compound using a unified approach. According to the model, the crystal possesses two structural subsystems: the K cations located in the octahedral positions and the WO3F3 octahedra in positions alternating with K cations. In the symmetric (cubic) phase, each subsystem can be found in one of the eight states. At decreasing temperature, an orientational phase transition in the subsystem of octahedra occurs first, followed by a phase transition to the low-temperature phase, caused by the loss of stability with respect to the ordering in the K cation subsystem. We find that the electric polarization occurs as pseudoproper and discuss the mechanisms of formation of the phase states.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gerasimova Y. V., Oreshonkov A. S., Ivanenko A. A., Molokeev M. S., Isaenko L. I., Flerov I. N., Bogdanov E. V., Gorev M. V., Kartashev A. V., Krylov A. S.
Заглавие : Structural, spectroscopic, and thermophysical investigations of the oxyfluorides CsZnMoO3F3 and CsMnMoO3F3 with the pyrochlore structure
Коллективы : Russian Foundation for Basic Research [12-02-31205_mol_a]; Ministry of Education and Science of the Russian Federation [8379]; Siberian Branch of the Russian Academy of Sciences [28]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2014. - Vol. 56, Is. 3. - P.599-605. - ISSN 1063-7834, DOI 10.1134/S1063783414030135. - ISSN 1090-6460
Примечания : Cited References: 26. - This study was supported by the Russian Foundation for Basic Research (project no. 12-02-31205_mol_a), the Ministry of Education and Science of the Russian Federation within the framework of the Federal Target Program "Scientific and Scientific-Pedagogical Human Resources for the Innovative Russia" (agreement no. 8379), and the Siberian Branch of the Russian Academy of Sciences (Interdisciplinary Integration Project no. 28).
Предметные рубрики: PHASE-TRANSITIONS
CRYSTAL-STRUCTURE
STATE
Cs
Mo
Аннотация: The structure, infrared and Raman spectra, heat capacity, and thermal expansion have been investigated. It has been shown that, down to liquid-helium temperatures, the cubic pyrochlore structure of the CsMnMoO3F3 and CsZnMoO3F3 oxyfluorides remains stable. The influence of cation substitution on individual features of the properties of the oxyfluorides has been analyzed.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Kolesnikova E. M., Isaenko L. I., Krylova S. N., Vtyurin A. N.
Заглавие : Measurement of Raman-scattering spectra of Rb2KMoO3F3 crystal: Evidence for controllable disorder in the lattice structure
Коллективы : Russian Foundation for Basic Research [11-02-98002-r, 12-02-00056]; integration project SB RAS [28, SS-4828.2012.2]; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" [8379]
Место публикации : Cryst. Growth Des.: American Chemical Society, 2014. - Vol. 14, Is. 3. - P.923-927. - ISSN 1528-7483, DOI 10.1021/cg4008894. - ISSN 1528-7505
Примечания : Cited References: 31. - The authors are grateful to Prof. I. N. Flerov for valuable support and useful discussions. The authors acknowledge stimulating discussions with Dr. S. N. Sofronova and Dr. A. S. Aleksandrovsky. The assistance of Dr. S. Skokov is sincerely appreciated. This work was partly supported by Russian Foundation for Basic Research project nos. 11-02-98002-r and 12-02-00056 and integration project SB RAS no. 28, SS-4828.2012.2 grant, and Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" (no. 8379).
Предметные рубрики: PHASE-TRANSITIONS
OXYFLUORIDE
ELPASOLITE
(NH4)3MOO3F3
(NH4)3WO3F3
TEMPERATURE
DYNAMICS
N-2
Cs
Аннотация: The λ-shaped line width broadening anomalies of octahedron group vibrations in Rb2KMoO3F3 disordered crystal have been revealed in the wide temperature range by Raman technique. The line width of Mo-O and Mo-F vibrations in this crystal is connected with the lattice disorder. The dependence of ordering degree passing the phase transition point history has been discovered. Wide temperature-line width area is found below structural phase transition where different lattice disorder can be obtained at a given temperature by varying the rate of sample cooling. The current study demonstrates the ability of a dynamic temperature regime to control ordering processes in crystals. © 2014 American Chemical Society.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fokina V. D., Flerov I. N., Molokeev M. S., Pogoreltsev E. I., Bogdanov E. V., Krylov A. S., Bovina A. F., Voronov V. N., Laptash N. M.
Заглавие : Heat capacity, p-T phase diagram, and structure of Rb2KTiOF5
Коллективы :
Разночтения заглавия :авие SCOPUS: Heat capacity, p-T phase diagram, and structure of Rb2KTiOF 5
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2008. - Vol. 50, Is. 11. - P2175-2183. - ISSN 1063-7834, DOI 10.1134/S1063783408110280
Примечания : Cited References: 23. - This work was supported by the Russian Foundation for Basic Research, project no. 06-02-16102.
Предметные рубрики: ELECTRON-DIFFRACTION
TRANSITIONS
OXYFLUORIDES
(NH4)(2)KWO3F3
TEMPERATURE
XRD
CS
Ключевые слова (''Своб.индексиров.''): 61--50--ks--65--40--ba--65--40--gd--78--30--hv--81--30--dz
Аннотация: Elpasolite Rb2KTiOF5 (space group, Fm was synthesized using a solid-phase reaction method. The temperature dependences of the heat capacity, the unit cell parameters, the structure, the permittivity, the response to an external pressure, and the Raman spectra were studied. A nonferroelectric phase transition was revealed at T (0) = 215 K; the transition is accompanied by a tetragonal distortion of the unit cell (space group I4/m, Z = 10) and a change in the entropy (S (0) = Rln8), which is anomalously large for perovskite-like oxyfluorides with atomic cations. The specific features of the mechanism of structure distortion are discussed in combination with the previous experimental data obtained for cryolite (NH4)(3)TiOF5 and elpasolite Rb2KGaF6.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Fokina V. D., Bovina A. F., Bogdanov E. V., Molokeev M. S., Kocharova A. G., Pogorel'tsev E. I., Laptash N. M.
Заглавие : Mechanism and nature of phase transitions in the (NH4)(3)MoO3F3 oxyfluoride
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2008. - Vol. 50, Is. 3. - P515-524. - ISSN 1063-7834, DOI 10.1134/S1063783408030219
Примечания : Cited References: 13
Предметные рубрики: (NH4)(2)WO2F4
DIFFRACTION
CS
Аннотация: The temperature dependences of the heat capacity, the unit cell parameter, and the permittivity for the (NH4)(3)MoO3F3 cryolite (space group Fm (3) over barm) are investigated. It is revealed that the compound undergoes ferroelectric and ferroelastic structural phase transitions at temperatures of 297 and 205 K, respectively. The mechanism of structural distortions is discussed in terms of the entropy parameters, pressure-temperature phase diagrams, and electron density maps for critical atoms. An analysis is made of the influence of the cation size and shape on the phase transitions in oxyfluorides of the general formula A(2)A'MO3F3 (A,A' = NH4, K; M = Mo, W).
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fokina V. D., Flerov I. N., Gorev M. V., Bogdanov E. V., Bovina A. F., Laptash N. M.
Заглавие : Thermophysical studies of the phase transitions in (NH4)(3)NbOF6 crystals
Разночтения заглавия :авие SCOPUS: Thermophysical studies of the phase transitions in (NH4) 3NbOF6 crystals
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2007. - Vol. 49, Is. 8. - P1548-1553. - ISSN 1063-7834, DOI 10.1134/S1063783407080240
Примечания : This work was supported by the Russian Foundation for Basic Research (project no. 06-02-16102), Krasnoyarsk Regional Science Foundation (project no.16G098), and the Council on Grants from President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (project NSh-4137.2006.2). - Cited References: 17
Предметные рубрики: OXYFLUORIDES
DISORDER
RB
CS
Аннотация: The thermophysical properties of oxyfluoride (NH4)(3)NbOF6 were studied in detail over wide ranges of temperatures and pressures. At atmospheric pressure, a sequence of four structural phase transitions was established with the following changes in entropy: Delta S (1) = Rln 2.7, delta S (2) = Rln38.3, Delta S (3) = 0.08R, and Delta S (4) = 0.17R. An external hydrostatic pressure was found to narrow the region of existence of the initial cubic phase. A triple point was detected in the p-T diagram; at a pressure above 0.07 GPa, the transition between the tetragonal and monoclinic phases occurs through a distorted high-pressure phase.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smirnov L. S., Kolesnikov A. I., Flerov I. N., Laptash N. M.
Заглавие : Inelastic neutron scattering study of the specific features of the phase transitions in (NH4)(2)WO2F4
Коллективы : Russian Foundation [09-02-00062]; U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357]
Место публикации : Phys. Solid State. - 2009. - Vol. 51, Is. 11. - P.2362-2366. - ISSN 1063-7834, DOI 10.1134/S1063783409110262
Примечания : Cited References: 15. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00062) and the ORNL/SNS controlled by UT-Battelle, LLC, the U.S. Department of Energy (contract DE-AC05-00OR22725); the experiments in the Argonne National Laboratory were supported by the Office of General Sciences on Energy, Division of Materials Science of the U.S. Department of Energy (contract DE-AC02-06CH11357).
Предметные рубрики: OXYFLUORIDE
(NH4)(3)WO3F3
MECHANISM
RB
CS
Аннотация: Oxyfluoride (NH4)(2)WO2F4 has been studied by the inelastic neutron scattering method over a wide temperature range 10-300 K at two initial neutron energies of 15 and 60 meV. The role of tetrahedral ammonium groups in the mechanism of sequential phase transitions at T (1) = 201 K and T (2) = 160 K has been discussed.
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