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Каталог книг и брошюр библиотеки ИФ СО РАН

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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) : Atuchin V. V., Gavrilova T. A., Isaenko L. I., Kesler V. G., Molokeev M. S., Zhurkov S. A.
Заглавие : Synthesis and structural properties of cubic G0-Rb2KMoO3F3 oxyfluoride
Место публикации : Ceram. Int.: Elsevier, 2012. - Vol. 38, Is. 3. - P.2455-2459. - ISSN 0272-8842, DOI 10.1016/j.ceramint.2011.11.013
Примечания : Cited References: 23. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34).
Предметные рубрики: PHASE-TRANSITIONS
FERROELECTRIC K3WO3F3
(NH4)(3)MOO3F3
TEMPERATURE
PEROVSKITE
ELPASOLITE
CRYSTALS
BEHAVIOR
High temperature
Melt solidification
Micromorphologies
Melt solidification
Microstructure-final
Oxyfluorides
Space Groups
Oxyfluorides
X ray methods
Ключевые слова (''Своб.индексиров.''): powders: solid state reaction--microstructure-final--x-ray methods--alkali oxides--halides
Аннотация: High-temperature G0 polymorph of Rb2KMoO3F3 has been prepared by melt solidification. Micromorphology and chemical properties of the final product were evaluated by scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). The elpasolite-related crystal structure of G0-Rb2KMoO3F3 has been refined by Rietveld method at T = 298 K (space group Fm-3m, a = 8.92446(8) Å, V = 710.76(1) Å3; RB = 3.55%). Ferroelectric G1-Rb2KMoO3F3 polymorph, earlier reported at T˂328 K, is not found at T = 298 K.
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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) : Krylov A. S., Goryainov S. V., Vtyurin A. N., Krylova S. N., Sofronova S. N., Laptash N. M., Emelina T. B., Voronov V. N., Babushkin S. V.
Заглавие : Raman scattering study of temperature and hydrostatic pressure phase transitions in Rb2KTiOF5 crystal
Место публикации : J. Raman Spectrosc.: Wiley-Blackwell, 2012. - Vol. 43, Is. 4. - P.577-582. - ISSN 0377-0486, DOI 10.1002/jrs.3071
Примечания : Cited References: 24. - This work was partly supported by integration project SB RAS No 101, Russian Foundation for Basic Research project No 11-02-98002-r_siberia, No 09-02-00062, SS-4645.2010.2.
Предметные рубрики: LATTICE-DYNAMICS
OXYFLUORIDES
(NH4)(3)TIOF5
SPECTRA
ELPASOLITE
Ключевые слова (''Своб.индексиров.''): structural phase transition--rb2ktiof5--raman spectroscopy--hysteresis--hydrostatic pressure
Аннотация: Raman spectra of Rb2KTiOF5 crystal were obtained and analyzed in the temperature range from 77 to 297 K and under hydrostatic pressure up to 4.2 GPa (at T = 295 K). The experimental results were compared with quantum-chemical simulation of TiOF5 pseudo-octahedron. To interpret effects of lattice ordering, phonon spectra of several ordered phases of Rb2KTiOF5 were calculated within ab initio generalized Gordon–Kim model, and ordering of TiOF5 molecular groups were simulated within Monte Carlo approach. The spectra exhibited orientation disordering in the cubic phase under ambient conditions. Cooling below the phase transition temperature (215 K) leads to partial ordering of the structure. The isotropic perovskite-like phase was found to undergo first-order transition into a low-symmetry anisotropic phase at about 1 GPa. Further compression up to 4.1 GPa did not show any effects associated with phase transitions. Copyright © 2011 John Wiley & Sons, Ltd.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Krylova S. N., Laptash N. M., Vtyurin A. N.
Заглавие : Raman scattering study of temperature induced phase transitions in crystalline ammonium heptafluorozirconate, (NH4)3ZrF7
Место публикации : Vib. Spectrosc.: Elsevier Science BV, 2012. - Vol. 62. - P.258-263. - ISSN 0924-2031, DOI 10.1016/j.vibspec.2012.07.003
Примечания : Cited References: 31. - This work was partly supported by integration project SB RAS No 28, Russian Foundation for Basic Research project No 11-02-98002-r_siberia, No 12-02-00056, SS-4828.2012.2. The authors are grateful to Dr. I.N. Flerov for helpful discussions. The assistance of Dr. S. Skokov is sincerely appreciated.
Предметные рубрики: VIBRATIONAL-SPECTRA
X-RAY
DISORDER
DIFFRACTION
ELPASOLITE
SYMMETRY
RB2KSCF6
IF7
Ключевые слова (''Своб.индексиров.''): raman spectroscopy--phase transition--ammonium heptafluorozirconate--low temperature
Аннотация: This paper reports on a Raman spectroscopy investigation of phase transitions in (NH4)3ZrF7 crystal. Raman spectra were obtained and analyzed in a wavenumber range from 3800 to 15 cm−1 and in the temperature range from 7 to 360 K. The anomalies caused by a series of subsequent structural phase transitions have been analyzed. A soft phonon mode restoring in the distorted phase was found. The spectral changes observed in the current study are similar to those typically found in phase transitions near a tricritical point. The spectral changes in the middle wavenumber range, 700–150 cm−1, indicate that the phase transitions are due to structural ordering of pentagonal ZrF73− bipyramids. Spectral data also show that a phase transition near 225 K is accompanied by an increase of the unit cell volume. In addition, spectral changes in the range of internal vibrations of ammonium ions indicate that the ion's motion slows down with decrease of temperature.
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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) : Krylov A. S., Sofronova S. N., Kolesnikova E. M., Ivanov Y. N., Sukhovsky A. A., Goryainov S. V., Ivanenko A. A., Shestakov N. P., Kocharova A. G., Vtyurin A. N.
Заглавие : Experimental and theoretical methods to study structural phase transition mechanisms in K3WO3F3 oxyfluoride
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. - 2014. - Vol. 218. - P.32-37. - ISSN 0022-4596, DOI 10.1016/j.jssc.2014.05.028. - ISSN 1095-726X
Примечания : Cited References: 21. - The Authors are grateful to Prof. Zinenko V.I. for constructive discussion of the results. The work has been done with financial support of the Russian Foundation for Basic Research projects nos. 4828.2012.2, 12-02-31205; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" project no. 8379.
Предметные рубрики: LATTICE-DYNAMICS
RAMAN-SCATTERING
ELPASOLITE
(NH4)3WO3F3
SPECTROSCOPY
CRYSTALS
Ключевые слова (''Своб.индексиров.''): raman spectroscopy--ir spectroscopy--nmr spectroscopy--high hydrostatic pressure--oxyfluorides--lattice dynamics calculations
Аннотация: The results of structural phase transitions mechanisms study in K3WO3F3oxyfluoride are represented by different experimental and theoretical methods. The structural phase transition anomalies at T1=452 K and T2=414 K of Raman and IR spectra have been analyzed. Using vibrational spectroscopy methods, the NMR-experiment has been done to clarify the nature of found phase transitions: displacive types or order-disorder types. The model of “disordered” crystal was proposed, and the results of lattice dynamics calculation in frameworks of the generalized Gordon–Kim method of ordered (R3) and “disordered” crystals were compared. The high pressure phases were studied by the Raman technique too.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Gavrilova T. A., Kesler V. G., Molokeev M. S., Aleksandrov K. S.
Заглавие : Structural and electronic parameters of ferroelectric K3WO3F3
Коллективы :
Место публикации : Solid State Commun. - 2010. - Vol. 150, Is. 43-44. - P.2085-2088. - ISSN 0038-1098, DOI 10.1016/j.ssc.2010.09.023
Примечания : Cited References: 34. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34).
Предметные рубрики: CORE-LEVEL SPECTROSCOPY
PHASE-TRANSITIONS
RHEED ANALYSIS
SURFACE
OXYFLUORIDE
ELPASOLITE
(NH4)(2)KWO3F3
SUBSTITUTION
TEMPERATURE
DIFFRACTION
Ключевые слова (''Своб.индексиров.''): ferroelectrics--chemical synthesis--electronic structure--photoelectron spectroscopies
Аннотация: The low-temperature ferroelectric G2 polymorph of K3WO3F3 oxyfluoride is formed by chemical synthesis. The electronic parameters of G2-K3WO3F3 have been measured by X-ray photoelectron spectroscopy under excitation with Al K alpha radiation (1486.6 eV). Detailed spectra have been recorded for all element core levels and Auger lines. The chemical bonding effects in the WO3 F-3 and WO6 octahedrons are considered by using the binding energy difference Delta BE(O-W) = BE(O 1s) BE(W 4f(7/2)). (C) 2010 Elsevier Ltd. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Krylova S. N., Vtyurin A. N., Voronov V. N., Oreshonkov A. S.
Заглавие : Raman Scattering Study Temperature Phase Transitions of Rb2KInF6 Crystal
Место публикации : Ferroelectrics: TAYLOR & FRANCIS LTD, 2011. - Vol. 416. - P95-100. - ISSN 0015-0193, DOI 10.1080/00150193.2011.577713
Примечания : Cited References: 9. - Authors wish to thank prof. K. S. Aleksandrov and prof. I. N. Flerov for their valuable support and useful discussions. This work has been financially supported by grants RFFBR 08-02-00066, 09-02-00062, SS-1011.2008.2.
Предметные рубрики: LIGHT-SCATTERING
LATTICE-DYNAMICS
OPTICAL PHONONS
ELPASOLITE
RB2KSCF6
Ключевые слова (''Своб.индексиров.''): rb2kinf6--temperature phase transitions--raman scattering--lattice dynamics
Аннотация: Raman scattering spectra of Rb2KInF6 crystal have been studied in a wide temperature range, including two phase transitions: from cubic to tetragonal, and then - to the monoclinic phase. Hardening of soft phonon modes was observed that attributes them to the transitions of displacive type. Parameters of Raman lines have been quantitatively analyzed and found in good agreement with known thermodynamic characteristics of these transitions. No evidences of order - disorder processes were observed in the Raman spectra of the high-symmetry phase.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Fokina V. D., Bovina A. F., Laptash N. M.
Заглавие : Calorimetric and x-ray diffraction studies of the (NH4)(3)WO3F3 and (NH4)(3)TiOF5 perovskite-like oxyfluorides
Разночтения заглавия :авие SCOPUS: Calorimetric and X-ray diffraction studies of the (NH4)3WO 3F3 and (NH4)3TiOF5 perovskite-like oxyfluorides
Место публикации : Phys. Solid State: AMER INST PHYSICS, 2004. - Vol. 46, Is. 5. - P915-921. - ISSN 1063-7834, DOI 10.1134/1.1744971
Примечания : Cited References: 11
Предметные рубрики: PHASE-TRANSITIONS
ELPASOLITE
K3MOO3F3
Аннотация: The heat capacity and unit cell parameters of the (NH4)(3)WO3F3 and (NH4)(3)TiOF5 perovskite-like oxyfluorides were measured in the temperature interval from 80 to 300 K; the existence of two and one phase transitions in these compounds, respectively, was demonstrated, and their thermodynamic parameters were determined. The effect of a hydrostatic pressure of up to 0.5 GPa on the phase transition temperatures was studied. Triple points and high-pressure phases were found in the T vs. p diagrams. An analysis of entropy changes suggests that all the structural transformations revealed are associated with the ordering of structural blocks. (C) 2004 MAIK "Nauka / Interperiodica".
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