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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) : Pogorel'tsev E. I., Bogdanov E. V., Molokeev M. S., Voronov V. N., Isaenko L. I., Zhurkov S. A., Laptash N. M., Gorev M. V., Flerov I. N.
Заглавие : Thermodynamic Properties and Structure of Oxyfluorides Rb(2)KMoO(3)F(3) and K(2)NaMoO(3)F(3)
Разночтения заглавия :авие SCOPUS: Thermodynamic properties and structure of oxyfluorides Rb2KMoO3F3 and K2NaMoO3F3
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 53, Is. 6. - P1202-1211. - ISSN 1063-7834, DOI 10.1134/S1063783411060266
Примечания : Cited References: 24. - This study was supported by the Siberian Branch of the Russian Academy of Sciences within the framework of the Interdisciplinary Integration project no. 34 SO RAN and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (project no. NSh-4645-2010.2).
Предметные рубрики: T PHASE-DIAGRAM
HEAT-CAPACITY
TRANSITIONS
(NH4)(3)MOO3F3
(NH4)(3)TIOF5
(NH4)(3)WO3F3
RB2KTIOF5
CRYSTALS
CRYOLITE
DISORDER
Аннотация: According to the results of calorimetric and structural studies, the Fm (3) over barm phase in K(2)NaMoO(3)F(3) remains stable at least to 100 K. No ferroelectric transformation assumed earlier has been revealed in a series of Rb(2)KMoO(3)F(3) samples prepared using various technologies. Only a phase transition of nonferroelectric origin has been observed near 195 K, and its thermodynamic characteristics have been determined. An analysis of the stability of the cubic structure of molybdenum fluorine-oxygen elpasolites-cryolites has been performed in the framework of the hypothesis on strengths of interatomic bonds. The barocaloric effect in Rb(2)KMoO(3)F(3) has been estimated.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Fokina V. D., Bovina A. F., Bogdanov E. V., Pogoreltsev E. I., Laptash N. M.
Заглавие : Disorder and phase transitions in oxyfluoride (NH4)(3)Ta(O-2)(2)F-4
Место публикации : J. Fluor. Chem. - 2011. - Vol. 132, Is. 10. - P.713-718. - ISSN 0022-1139, DOI 10.1016/j.jfluchem.2011.05.012
Примечания : Cited Reference Count: 19. - Гранты: This work was supported by the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (NSh-4645.2010.2).Финансирующая организация: Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-4645.2010.2]
Предметные рубрики: HEAT-CAPACITY
COMPLEXES
RB2KTIOF5
FLUORIDES
CRYOLITE
Ключевые слова (''Своб.индексиров.''): cubic oxyfluorides--structural disorder--phase transitions--entropy--permittivity--pressure effect--cubic oxyfluorides--entropy--permittivity--phase transitions--pressure effect--structural disorder
Аннотация: Calorimetric, X-ray, dielectric and DTA under pressure measurements have been performed on oxyfluoride (NH4)(3)Ta(O-2)(2)F-4. The succession of nonferroelectric phase transitions was found associated with the order-disorder processes. The comparative analysis tantalate with related niobate has revealed the important role of the central atom in the physical properties behavior, mechanism of structural distortions and barocaloric effect in oxyfluorides with the eight-coordinated anionic polyhedra. (C) 2011 Elsevier By. All rights reserved.
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