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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., Isaenko L. I., Kesler V. G., Kang L., Lin Z. S., Molokeev M. S., Yelisseyev A. P., Zhurkov S. A.
Заглавие : Structural, spectroscopic, and electronic properties of cubic G0-Rb2KTiOF5 oxyfluoride
Место публикации : J. Phys. Chem. C: American Chemical Society, 2013. - Vol. 117, Is. 14. - P.7269-7278. - ISSN 1932-7447, DOI 10.1021/jp401391y
Примечания : Cited References: 80. - This study was supported by SB RAS (Grant 28.13), the National Natural Science Foundation of China under Grants 11174297 and 91022036, and the National Basic Research Project of China (Nos. 2010CB630701 and 2011CB922204).
Предметные рубрики: RAY PHOTOELECTRON-SPECTROSCOPY
SURFACE CHEMICAL-STABILITY
EFFECTIVE IONIC-RADII
PHASE-TRANSITIONS
CRYSTAL-GROWTH
HEAT-CAPACITY
CORE LEVELS
RB2KTIOF5
FLUORIDES
OXIDES
Аннотация: The G0-Rb2KTiOF5 single crystals with dimensions up to nearly a centimeter in size have been prepared by slow solidification method. The elpasolite-related crystal structure of G0-Rb2KTiOF5 has been refined by Rietveld method at T = 298 K (space group Fm (3) over barm, Z = 4, a = 8.880(1) angstrom, V = 700.16(2) angstrom(3); R-B = 2.66%). The wide optical transparency range of 0.25-9 mu m and forbidden band gap of E-g = 3.87 eV have been obtained for the G0-Rb2KTiOF5 crystal. Dominating photoluminescence bands at 3.36 and 2.33 eV are related to free and self-trapped excitons, respectively. The electronic structure of G0-Rb2KTiOF5 has been evaluated by X-ray photoelectron spectroscopy and calculated with the first-principles methods. A good agreement between theoretical and experimental results has been achieved. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and a wide comparison with related oxides and fluorides. The competition between O2- and F- ions for metal valence electrons has been found.
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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) : Atuchin V. V., Molokeev M. S., Yurkin G. Yu., Gavrilova T. A., Kesler V. G., Laptash N. M., Flerov I. N., Patrin G. S.
Заглавие : Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride
Место публикации : J. Phys. Chem. C: American Chemical Society, 2012. - Vol. 116, Is. 18. - P.10162-10170. - ISSN 1932-7447, DOI 10.1021/jp302020f
Примечания : Cited References: 64. - We thank Dr. A.M. Ziatdinov for the electron paramagnetic resonance measurements. This study was partly supported by SB RAS (Grant 28).
Предметные рубрики: RAY PHOTOELECTRON-SPECTROSCOPY
PHASE-TRANSITIONS
CORE LEVELS
SURFACE CHARACTERIZATION
CRYSTAL-STRUCTURE
CLEAVED SURFACE
MIXED-VALENCE
OXIDES
MN
MOLYBDENUM
Chemical bondings
Cubic phase
Energy differences
Heat capacity measurements
Oxyfluorides
Powder samples
Solid-state synthesis
Space Groups
Temperature range
Valence electron
Binding energy
Chemical bonds
Electronic structure
Fluorine compounds
Magnetic properties
Metal ions
Photoelectrons
Rietveld method
X ray photoelectron spectroscopy
Electronic properties
Аннотация: A powder sample of CsMnMoO3F3 oxyfluoride has been prepared by solid state synthesis. The pyrochlore-related crystal structure of CsMnMoO3F3 has been refined by the Rietveld method at T = 298 K (space group Fd-3m, a = 10.59141(4) angstrom, V = 1188.123(8) angstrom(3); R-B = 3.44%). The stability of the cubic phase has been obtained over the temperature range T = 110-293 K by heat capacity measurements. Magnetic properties have been measured over the range of T = 2-300 K. The electronic structure of CsMnMoO3F3 has been evaluated by X-ray photoelectron spectroscopy. Chemical bonding effects have been discussed for all metal ions using binding energy difference parameters and wide comparison with related oxides and fluorides. The competition between O-2(-) and F- ions for metal valence electrons has been found.
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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) : Gerasimova J. V., Vtyurin A. N.
Заглавие : Evans hole in internal modes IR spectrum of WO3F33-ions in (NH4)(3)WO3F3 crystal
Место публикации : Chem. Phys. Lett.: ELSEVIER SCIENCE BV, 2012. - Vol. 523. - P.144-147. - ISSN 0009-2614, DOI 10.1016/j.cplett.2011.12.041
Примечания : Cited References: 11. - We would like to thank Prof. E. M. Aver'yanov for discussion, and V. A. Ouskin for the technical assistance. This work has been supported by the Russian Foundation for Basic Researches, Grant No. 11-02-98002-r_sibir_a.
Предметные рубрики: INFRARED-SPECTRA
PHASE-TRANSITIONS
OXYFLUORIDE
MOLECULES
Аннотация: Infrared absorption of (NH4)(3)WO3F3 compound has been studied. Profile of asymmetric band in 600-1000 cm (1) range associated with polar W-O vibrations of WO3F33- ions is explicable on the basis of multi-oscillatory dynamics with account of damping. Complex profile with Evans holes proves that internal modes of WO3F33- anions in the fluorine-oxygen octahedron interact due to the effects of the local field. (C) 2011 Elsevier B. V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhaleva E. A., Flerov I. N., Bondarev V. S., Gorev M. V., Vasiliev A. D., Davydova T. N.
Заглавие : Electrocaloric and barocaloric effects in some ferroelectric hydrosulfates and triglycinesulfate
Коллективы : European Meeting on Ferroelectricity
Место публикации : European Meeting on Ferroelectricity (12 ; 2011 ; 26 June - 1 July ; Bordeaux, France). Ferroelectrics: Taylor & Francis LTD, 2012. - Vol. 430. - P.78-83. - ISSN 0015-0193, DOI 10.1080/00150193.2012.677717
Примечания : Cited References: 14. - This work was supported by the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools (project no, Nsh - 4645.2010.2).
Предметные рубрики: PHASE-TRANSITIONS
AMMONIUM
RbHSO4
Ключевые слова (''Своб.индексиров.''): ferroelectrics--phase transitions--electrocaloric and barocaloric effects
Аннотация: A comparative analysis of electrocaloric and barocaloric efficiency of order-disorder ferroelectrics Rbx(NH4)1-xHSO4 and TGS is performed. A good agreement was found between intensive electrocaloric effects measured experimentally and calculated using electric equation of state. Barocaloric effects were evaluated analyzing the experimental data on heat capacity and T-p phase diagrams. In some crystals under study the same adiabatic temperature change can be produced by low pressure and rather high electric field.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Volkov N. V., Solovyev L. A., Eremin E. V., Sablina K. A., Misjul S. V., Molokeev M. S., Zaitsev A. I., Gorev M. V., Bovina A. F., Mikhashenok N. V.
Заглавие : Temperature-dependent features of Pb3Mn7O15 crystal structure
Место публикации : Physica B: Elsevier Science BV, 2012. - Vol. 407, Is. 4. - P.689-693. - ISSN 0921-4526, DOI 10.1016/j.physb.2011.11.058
Примечания : Cited References: 23. - This study was supported by the Russian Foundation for Basic Research 'Siberia', Project no. 09-02-98003, and the Siberian Branch of the Russian Academy of Sciences, integration Project no. 101. This work was partially supported by the Russian Ministry of Education and Science Federal Program Grant P2430.
Предметные рубрики: PROFILE REFINEMENT
PHASE-TRANSITIONS
Ключевые слова (''Своб.индексиров.''): manganese--layered compounds--x-ray diffraction
Аннотация: The results of X-ray diffraction (XRD) structural investigations of Pb3Mn7O15 crystals carried out for a wide temperature range including the room temperature are presented. It has been observed for the first time that with increasing temperature the Pb3Mn7O15 crystals transform from the orthorhombic (Pnma space group) to the hexagonal (P6(3)/mcm space group) structure. The results of the thermal analysis have revealed two sharp peaks in the temperature dependence correlating with the XRD data. According to the results of the group-theoretical analysis, the Pb3Mn7O15 symmetry transformation can be described as P6(3)/mcm M-2(-)(12-4)(eta,0,0) over right arrow Pnma. (C) 2011 Elsevier B.V. All rights reserved.
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10.

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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