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A Raman scattering study of the phase transition in the ammonium oxyfluoride (NH4)(3)TiOF5 / Y. V. Gerasimova [et al.] // Phys. Solid State. - 2008. - Vol. 50, Is. 8. - P. 1534-1537, DOI 10.1134/S1063783408080246. - Cited References: 8 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
(NH4)(3)WO3F3 OXYFLUORIDE
Аннотация: Raman spectra of a polycrystalline sample of the perovskite-like oxyfluoride (NH4)(3)TiOF5 are measured in the frequency region 100-3600 cm(-1) at temperatures ranging from 91 to 370 K under hydrostatic pressures of up to 9 GPa, which include the range of the phase transition from the orientationally disordered cubic phase to the low-symmetry phase. Anomalies in the spectral parameters due to the phase transition are revealed in the range of vibrations of TiOF5 octahedral groups.

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Держатели документа:
[Gerasimova, Yu. V.
Krylov, A. S.
Vtyurin, A. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Gerasimova, Yu. V.
Krylov, A. S.
Vtyurin, A. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far E Branch, Vladivostok 690022, Russia
[Goryainov, S. V.] Inst Mineral & Petrog, Siberian Branch, Novosibirsk 630090, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk 660041, Russian Federation
Institute of Chemistry, Far-East Branch, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation
Institute of Mineralogy and Petrography, Siberian Branch, Universitetskii pr. 3, Novosibirsk 630090, Russian Federation

Доп.точки доступа:
Gerasimova, Y. V.; Герасимова, Юлия Валентиновна; Krylov, A. S.; Крылов, Александр Сергеевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; Laptash, N. M.; Goryainov, S. V.
}
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A study of phase transition in (NH4)(3)WO3F3 oxyfluoride by Raman scattering / A. S. Krylov [et al.] // Phys. Status Solidi B. - 2006. - Vol. 243, Is. 2. - P. 435-441, DOI 10.1002/pssb.200541259. - Cited References: 11 . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
ELPASOLITE RB2KSCF6
Аннотация: Raman scattering spectra of perovskite-like (NH4)(3)WO3F3 oxyfluoride are studied in the 70-3600 cm(-1) frequency range and the 93-323 K temperature range including the transition point from orientationally disordered cubic phase into the lower symmetry one. Internal vibrations of ammonium ions and WO3F3 octahedra have been found to exhibit transition anomalies. Analysis of measurements suggests that the transition under study is due mainly to the ordering of octahedra.

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Держатели документа:
Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Inst Chem, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, 660036 Krasnoyarsk, Russian Federation
Institute of Chemistry, 690022 Vladivostok, Russian Federation

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Gerasimova, J. V.; Герасимова, Юлия Валентиновна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Laptash, N. M.; Voyt, E. I.
}
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Barocaloric effect near the structural phase transition in the Rb2KTiOF5 oxyfluoride / M. V. Gorev [et al.] // Phys. Solid State. - 2010. - Vol. 52, Is. 2. - P. 377-383, DOI 10.1134/S1063783410020253. - Cited References: 21. - This study was supported by the Siberian Branch of the Russian Academy of Sciences (Interdisciplinary Integration Project no. 34), the Russian Foundation for Basic Research and the Krasnoyarsk Regional Scientific Foundation within the framework of the "Sibir'" Project (project no. 09-02-98001), and the Council on Grants from the President of the Russian Federation for Support of the Leading Scientific Schools of the Russian Federation (grant no. NSh-1011.2008.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
HEAT-CAPACITY
PRESSURE
Аннотация: The barocaloric effect (BCE) in the oxyfluoride Rb2KTiOF5 has been studied in the vicinity of the structural phase transition at a temperature of 215 K in the pressure range 0-0.6 GPa. It has been established that the extensive and intensive barocaloric effects are Delta S-BCE similar to -46 J/kg K and Delta T (AD) similar to 18 K, respectively, over a wide temperature range 215-280 K. The studies performed have shown that the external hydrostatic pressure is a very effective tool for changing the entropy and temperature of the crystals which undergo structural phase transitions accompanied by a large change in the entropy.

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Оригинал на русском языке Барокалорический эффект в области структурного фазового перехода в оксифториде Rb2KTiOF5 [Текст] / М. В. Горев [и др.] // Физика твердого тела. - Санкт-Петербург : Федеральное государственное унитарное предприятие "Академический научно-издательский, производственно-полиграфический и книгораспространительский центр Российской академии наук "Издательство "Наука", 2010. - Т. 52 № 2. - С. 351-357

Держатели документа:
[Gorev, M. V.
Flerov, I. N.
Bogdanov, E. V.
Voronov, V. N.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Gorev, M. V.
Flerov, I. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, pr. Svobody 79, Krasnoyarsk 660041, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, pr. Stoletiya, Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Voronov, V. N.; Воронов, Владимир Николаевич; Laptash, N. M.
}
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Calorimetric and dielectric studies of the (NH4)(2)MoO2F4 oxyfluoride / V. D. Fokina [et al.] // Phys. Solid State. - 2010. - Vol. 52, Is. 1. - P. 158-166, DOI 10.1134/S1063783410010282. - Cited References: 22. - This study was supported by the Russian Foundation for Basic Research ( project no. 09-02-00062). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   (NH4)(2)WO2F4
   DIFFRACTION
   MECHANISM
   CRYSTALS
Аннотация: The temperature dependences of the heat capacity, dielectric properties, and response to an external pressure and an electric field for the (NH4)(2)MoO2F4 oxyfluoride (space group Cmcm, Z = 4) have been studied. A comparative analysis of the data on the entropy of phase transitions, p-T phase diagrams, permittivity, and anomalous heat capacity in combination with the results of previous studies of the related compounds (NH4)(2)WO2F4 and (ND4)(2)WO2F4 has made it possible to establish that both [MO2F4](2-) anions and ammonium groups play a substantial role in the mechanism and nature of the structural transformations.

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Держатели документа:
[Fokina, V. D.
Bogdanov, E. V.
Bondarev, V. S.
Flerov, I. N.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Fokina, V. D.
Pogorel'tsev, E. I.
Bondarev, V. S.
Flerov, I. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Laptash, N. M.] Russian Acad Sci, Far Eastern Branch, Inst Chem, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, pr. Svobody 79, Krasnoyarsk 660041, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Pogorel'tsev, E. I.; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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    Chemical bonding effect in complex oxyfluorides with transition metals / V. V. Atuchin [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 68
   Перевод заглавия: Эффект химического связывания в оксифторидах с переходными металлами
Кл.слова (ненормированные):
XPS -- oxyfluoride -- transition metals -- crystal structure -- bonding

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Laptash, N. M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
}
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    Chemical group substitution enables highly efficient Mn4+ luminescence in heterovalent systems / H. Ming, Y. Zhao, Y. Zhou [et al.] // Adv. Optical Mater. - 2023. - Vol. 11, Is. 10. - Ст. 2300076, DOI 10.1002/adom.202300076. - Cited References: 36. - This work was financially supported by the National Key Research and Development Program of China (2022YFB3503800), the National Science Foundation of China (Grant Nos. 52202170 and 51972117). This work was also funded by RFBR according to the research project No. 19-52-80003 . - ISSN 2195-1071
   Перевод заглавия: Замена химической группы обеспечивает высокоэффективную люминесценцию Mn4+ в гетеровалентных системах
Кл.слова (ненормированные):
defects -- heterovalent substitution -- Mn4+ -- oxyfluoride -- phosphors
Аннотация: Defects are a double-edged sword for heterovalent metal-ion doping phosphors. Along with the luminescence tunability of phosphors bestowed by defects, their expected luminescence efficiency would also be inevitably lowered due to the presence of these quenching sites. Herein, a chemical group substitution strategy is proposed, where inorganic polyhedrons act as the smallest chemical units during the structural evolution of the doping process. Such a method can not only effectively prevent the defect generation for charge compensation in heterovalent doping systems, but also facilitate the incorporation of activators into the matrix, leading to extremely high luminescence efficiency. The concept is first confirmed energetically favorable by first-principles simulations. As a robust experimental proof, two newly reported Mn4+-incorporated hexavalent organic-inorganic hybrid oxyfluorides (TMA)2BO2F4:Mn4+ (where TMA stands for tetramethylammonium, and B = W6+ or Mo6+) present high quantum efficiency (up to 94.4%) and short lifetime (down to 2.26 ms) that are superior to the commercial red phosphor K2SiF6:Mn4+ (≈84.8%, ≈8.06 ms). Utilizing the differences in decay lifetimes and thermal quenching behaviors of (TMA)2BO2F4:Mn4+ and K2SiF6:Mn4+, a time- and temperature-resolved single-color multiplexing mode with high-safety and easy-access is developed for information security. This work offers an effective strategy to manipulate defect generation in luminescent materials.

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Держатели документа:
State Key Laboratory of Luminescent Materials and Devices, Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques, and Guangdong Engineering Technology Research and Development Center of Special Optical Fiber Materials and Devices, South China University of Technology, Guangzhou, 510641 P. R. China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036 Russia
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660041 Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021 Russia
School of Physics and Optoelectronics, South China University of Technology, Guangzhou, 510641 P. R. China

Доп.точки доступа:
Ming, Hong; Zhao, Yifei; Zhou, Yayun; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, Yuanjing; Song, Enhai; Zhang, Qinyuan
}
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    Crystal and local structure refinement in Ca2Al3O6F explored by X-ray diffraction and Raman spectroscopy / Z. G. Xia [et al.] // Phys. Chem. Chem. Phys. - 2014. - Vol. 16, Is. 13. - P. 5952-5957, DOI 10.1039/c3cp53816h. - Cover illustration: Graphical abstract from this article. - Cited References: 34. - This present work was supported by the National Natural Science Foundations of China (Grant No. 51002146, 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047) and Beijing Youth Excellent Talent Program (YETP0635), and this study was also partially supported by SB RAS, Grant 28.13. Part of the work was supported by the National Science Council of Taiwan under contract No. NSC 101-2113-M-002-014-MY3. . - ISSN 1463-9076. - ISSN 1463-9084
   Перевод заглавия: Уточнение кристаллической и локальной структуры в Ca2Al3O6F при помощи рентгеновской дифракции и Рамановской спектроскопии

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
EMITTING OXYFLUORIDE PHOSPHOR
   PHASE-TRANSITIONS
   SOLID-STATE
   FLUORIDES
   DIODES
Аннотация: We present a combined structural analysis on the powder of the Ca2Al3O6F phase using X-ray diffraction (XRD) and Raman spectroscopy techniques. The crystal structure of Ca2Al3O6F has been refined in the rhombohedral system, R space group, a = 17.3237(7) Å, c = 7.00017(4) Å, V = 1819.38(2) Å3, Z = 6. The Ca2Al3O6F phase consists of almost ideal AlO4 tetrahedrons linked through corners, Ca2+ ions in voids, and F− ions disordered over 6 sites around the Ca2 ion. The two different Ca sites have also been verified by the photoluminescence spectrum and decay curves using Eu2+ as the probe ion substituted onto the Ca2+ sites. A lattice dynamics simulation based on the simplified version of the Born–Karman potential model has been produced. Calculated Raman phonon modes agree qualitatively well with the experimental data. The calculations show that the strong line at 538 cm−1 (Ag) corresponds to the vibrational mode of a six-membered AlO4 tetrahedrons ring, and the line at 572 cm−1 (Ag) corresponds to the full symmetric vibration of fluorine atoms in the ab crystal plane.

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Держатели документа:
China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, LV Kirensky Phys Inst, Lab Mol Spect, Krasnoyarsk 660036, Russia
SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090 90, Russia
Natl Taiwan Univ, Dept Chem, Taipei 10617, Taiwan
Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China

Доп.точки доступа:
Xia, Zhiguo; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Atuchin, V. V.; Liu, R. S.; Dong, C.
}
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Crystal structures of room- and low-temperature phases in oxyfluoride (N H4) 2 KW O3 F3 / M. S. Molokeev, A. D. Vasiliev, A. G. Kocharova // Powder Diffraction. - 2007. - Т. 22, № 3. - С. 227-230, DOI 10.1154/1.2759491 . - ISSN 0885-7156

РИНЦ
Держатели документа:
L. V. Kirensky Institute of Physics,SB RAS

Доп.точки доступа:
Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Kocharova, A. G.; Кочарова, Алла Георгиевна
}
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    Disorder and phase transitions in oxyfluoride (NH4)(3)Ta(O-2)(2)F-4 / I. N. Flerov [et al.] // J. Fluor. Chem. - 2011. - Vol. 132, Is. 10. - P. 713-718, DOI 10.1016/j.jfluchem.2011.05.012. - 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] . - ISSN 0022-1139
Рубрики:
HEAT-CAPACITY
   COMPLEXES
   RB2KTIOF5
   FLUORIDES
   CRYOLITE
Кл.слова (ненормированные):
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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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Siberian Dept, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
RAS, Inst Chem, Far Eastern Dept, Vladivostok 690022, Russia

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Bovina, A. F.; Бовина, Ася Федоровна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Laptash, N. M.
}
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10.

Effect of cation substitution in fluorine-oxygen molybdates (NH4)(2-x) A (x) MoO2F4 / E. V. Bogdanov [et al.] // Phys. Solid State. - 2011. - Vol. 53, Is. 2. - P. 303-308, DOI 10.1134/S1063783411020065. - Cited References: 11. - This study was supported by the Russian Foundation for Basic Research (project no. 09-02-00062) 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-1011.2008.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   CRYSTALS
   (NH4)(2)WO2F4
   DIFFRACTION
   OXYFLUORIDE
   MECHANISM
   DISORDER
Аннотация: Thermophysical and structural studies of (NH4)(2 - x) A (x) MoO2F4 (A = Cs, Rb, K) solid solutions of oxyfluorides have been performed. The character of the influence of cation substitutions on the stability of the initial phase (space group Cmcm) and on the mechanism of phase transitions has been elucidated.

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Держатели документа:
[Bogdanov, E. V.
Vasil'ev, A. D.
Flerov, I. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Vasil'ev, A. D.
Flerov, I. N.] Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660074, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, ul. Kirenskogo 28, Krasnoyarsk 660074, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Bogdanov, E. V.; Богданов, Евгений Витальевич; Vasil'ev, A. D.; Васильев, Александр Дмитриевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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11.

Effect of deuteration on the thermal properties and structural parameters of the (NH4)(2)WO2F4 oxyfluoride / I. N. Flerov [et al.] // Phys. Solid State. - 2007. - Vol. 49, Is. 6. - P. 1149-1156, DOI 10.1134/S1063783407060212. - Cited References: 11 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PEROVSKITE-LIKE OXYFLUORIDES
   PHASE-TRANSITIONS
   (NH4)(3)WO3F3
   (NH4)(3)TIOF5
Аннотация: The thermal properties and structure of (ND4)(2)WO2F4 crystals are investigated. It is established that deuteration does not lead to a change in the symmetry of the initial phase Cmcm but considerably decreases the extent of its disordering, which, in turn, brings about a substantial decrease in the phase transition entropy. Apart from the anomalies associated with phase transitions characteristic of the protonic compound, the heat capacity exhibits two additional anomalies. Analysis of the phase diagram of the deuterated crystal reveals a triple point at a pressure p = 0.18 GPa, which is predicted for (NH4)(2)WO2F4 at about 0.7 GPa.

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Держатели документа:
LV Kirenskii Inst Phys, Russian Acad Sci, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Gorev, M. V.; Горев, Михаил Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bovina, A. F.; Бовина, Ася Федоровна; Kocharova, A. G.; Кочарова, Алла Георгиевна
}
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12.

Experimental and theoretical methods to study structural phase transition mechanisms in K3WO3F3 oxyfluoride / A. S. Krylov [et al.] // J. Solid State Chem. - 2014. - Vol. 218. - P. 32-37, DOI 10.1016/j.jssc.2014.05.028. - 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. . - ISSN 0022-4596. - ISSN 1095-726X

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
LATTICE-DYNAMICS
   RAMAN-SCATTERING
   ELPASOLITE
   (NH4)3WO3F3
   SPECTROSCOPY
   CRYSTALS
Кл.слова (ненормированные):
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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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Sofronova, S. N.; Софронова, Светлана Николаевна; Kolesnikova, E. M.; Колесникова, Евгения Михайловна; Ivanov, Y. N.; Иванов, Юрий Николаевич; Sukhovsky, A. A.; Суховский, Андрей Андреевич; Goryainov, S. V.; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Shestakov, N. P.; Шестаков, Николай Петрович; Kocharova, A. G.; Кочарова, Алла Георгиевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Russian Foundation for Basic Research [4828.2012.2, 12-02-31205]; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" [8379]
}
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13.

    Exploration on anion ordering, optical properties and electronic structure in K3WO3F3 elpasolite / V. V. Atuchin [et al.] // J. Solid State Chem. - 2012. - Vol. 187. - P. 159-164, DOI 10.1016/j.jssc.2011.12.037. - 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. . - ISSN 0022-4596
   Перевод заглавия: Исследование анионного упорядочения, оптических свойств и электронной структуры в эльпасолите K3WO3F3

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical + Chemical modification + Electronic structure + Optical properties + Potassium + Structure (composition)
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
Кл.слова (ненормированные):
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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Держатели документа:
[Lin, Z. S.] Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China
[Atuchin, V. V.] SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia
[Isaenko, L. I.
Yelisseyev, A. P.
Zhurkov, S. A.] SB RAS, Lab Crystal Growth, Inst Geol & Mineral, Novosibirsk 630090, Russia
[Kesler, V. G.] Russian Acad Sci, Inst Semicond Phys, Lab Phys Principles Integrated Microelect, Novosibirsk 630090, Russia
[Molokeev, M. S.] SB RAS, Lab Crystal Phys, Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A.
}
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14.

Gerasimova, J. V.
Evans hole in internal modes IR spectrum of WO3F33-ions in (NH4)(3)WO3F3 crystal / J. V. Gerasimova, A. N. Vtyurin // Chem. Phys. Lett. - 2012. - Vol. 523. - P. 144-147, DOI 10.1016/j.cplett.2011.12.041. - 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. . - ISSN 0009-2614

РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
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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Держатели документа:
[Gerasimova, Ju V.
Vtyurin, A. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Vtyurin, A. N.; Втюрин, Александр Николаевич; Герасимова, Юлия Валентиновна
}
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15.

Inelastic neutron scattering study of the specific features of the phase transitions in (NH4)(2)WO2F4 / L. S. Smirnov [et al.] // Phys. Solid State. - 2009. - Vol. 51, Is. 11. - P. 2362-2366, DOI 10.1134/S1063783409110262. - 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). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Держатели документа:
[Smirnov, L. S.] Alikhanov Inst Theoret & Expt Phys, Moscow 117218, Russia
[Kolesnikov, A. I.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA
[Flerov, I. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Flerov, I. N.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far Eastern Branch, Vladivostok 690022, Russia
ИФ СО РАН

Доп.точки доступа:
Smirnov, L. S.; Kolesnikov, A. I.; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.; Russian Foundation [09-02-00062]; U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357]
}
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16.

Influence of the chemical and hydrostatic pressure on the phase transitions in oxyfluoride A2MeO2F4 (A: NH$ ND4, Rb; Me: W, Mo) / E. V. Bogdanov, I. N. Flerov, E. I. Pogoreltsev, N. M. Laptash // Abstracts of the 10th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity. - 2010. - P. 205

Материалы симпозиума

Доп.точки доступа:
Bogdanov, E. V.; Богданов, Евгений Витальевич; Flerov, I. N.; Флёров, Игорь Николаевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Laptash, N. M.; Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(10 ; 2010 ; June 20-25 ; Yokohama, Japan)
}
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17.

Lattice dynamics of oxyfluoride Rb2KMoO3F3 / A. S. Krylov [et al.] // Ferroelectrics. - 2012. - Vol. 441. - P. 52-60, DOI 10.1080/00150193.2012.743791. - Cited References: 23 . - ISSN 0015-0193

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   RAMAN-SCATTERING
   ELPASOLITE
   CRYSTALS
   DISORDER
   SPECTRA
   CS
Кл.слова (ненормированные):
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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Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Sofronova, S. N.; Софронова, Светлана Николаевна; Kolesnikova, E. M.; Колесникова, Евгения Михайловна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Isaenko, L. I.; International Symposium on Ferroic Domains and Micro- to Nanoscopic Structures(11th ; 20-24 Aug. 2012 ; Ekaterinburg, Russia); Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(11 ; 2012 ; Aug. ; 20-24 ; Ekaterinburg)
}
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18.

Measurement of Raman-scattering spectra of Rb2KMoO3F3 crystal: Evidence for controllable disorder in the lattice structure / A. S. Krylov [et al.] // Cryst. Growth Des. - 2014. - Vol. 14, Is. 3. - P. 923-927, DOI 10.1021/cg4008894. - 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). . - ISSN 1528-7483. - ISSN 1528-7505

РУБ Chemistry, Multidisciplinary + Crystallography + Materials Science, Multidisciplinary
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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Держатели документа:
SB RAS, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia
SB RAS, VS Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Kolesnikova, E. M.; Колесникова, Евгения Михайловна; Isaenko, L. I.; Krylova, S. N.; Крылова, Светлана Николаевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; 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]
}
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19.

Mechanism and nature of phase transition in oxyfluoride Rb2KTiOF5 / Pogoreltsev E., Fokina V., Bogdanov E., Voronov V., Flerov I., Laptash N. // 9th Russian/CIS/Baltic/Japan symposium on ferroelectricity, June 15-19, 2008, Vilnius, Lithuania, p.138

Доп.точки доступа:
Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Voronov, V. N.; Воронов, Владимир Николаевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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20.

Mechanism and nature of phase transitions in the (NH4)(3)MoO3F3 oxyfluoride / I. N. Flerov [et al.] // Phys. Solid State. - 2008. - Vol. 50, Is. 3. - P. 515-524, DOI 10.1134/S1063783408030219. - Cited References: 13 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Держатели документа:
[Flerov, I. N.
Fokina, V. D.
Bovina, A. F.
Bogdanov, E. V.
Molokeev, M. S.
Kocharova, A. G.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Pogorel'tsev, E. I.] Siberian Fed Univ, Polytech Inst, Krasnoyarsk 660074, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far E Div, Vladivostok 690022, Russia
ИФ СО РАН

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Bovina, A. F.; Бовина, Ася Федоровна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Kocharova, A. G.; Кочарова, Алла Георгиевна; Pogorel'tsev, E. I.; Laptash, N. M.
}
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