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    Синтез, структура, ЭПР спектры и теплоемкость кубического оксифторида CsZnMoO3F3 / М. С. Молокеев [и др.] // Вестник СибГАУ. - 2013. - № 3. - С. 224-227. - Работа выполнена при финансовой поддержке ФЦП «Научные и научно-педагогические кадры инновационной России» на 2009–2013 гг., № 8379
   Перевод заглавия: Synthesis, structure, epr spectra and heat capacity of cubic CsZnMoO3F3 oxyfluoride
Кл.слова (ненормированные):
оксифторид -- рентгеноструктурный анализ -- ЭПР спектры -- теплоемкость -- oxyfluoride -- X-ray powder diffraction -- EPR -- heat capacity
Аннотация: Оксифторид CsZnMoO3F3 получен методом твердофазного синтеза. Установлено, что кристалл изоструктурен пирохлору и уточнена его кристаллическая структура при T = 298 K методом Ритвельда. Несмотря на то, что основным структурным элементом в этом соединении является искаженный полиэдр, реализовалась кубическая фаза. Стабильность кубической фазы подтверждена исследованием теплоемкости в температурном интервале T = 110–293 K. Проанализированы ЭПР спектры исследуемого соединения в диапазоне температур T = 77–295 K. Установлено наличие дефектов в структуре. Проведено сравнение исследуемого соединения с родственным оксифторидом CsMnMoO3F3. Отмечено лишь небольшое изменение тепловых параметров и параметров ячеек.
Oxyfluoride CsZnMoO3F3 has been prepared with the solid state synthesis. It was found that crystal is isostructural to pyrochlore and its crystal structure was defined with the Rietveld method more exactly. Despite the fact that the main structural element in this compound is distorted polyhedron, the cubic phase has been realized. The stability of the cubic phase over the temperature range T = 110–293 K was proved by the heat capacity measurement. The EPR spectra were analyzed over the range of 77–295 K. The presence of defects was revealed. The comparison between compound under investigation and CsMnMoO3F3 was implemented. Just a tiny change of the thermal parameters and the cell parameters was registered.

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Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Молокеев, Максим Сергеевич; Molokeev, M.S.; Петраковская, Элеонора Анатольевна; Petrakovskaya, E.A.; Бондарев, Виталий Сергеевич; Bondarev, V. S.; Колесникова, Евгения Михайловна; Kolesnikova, E. M.; Иванов, Н. А.
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    Исследование структурных фазовых переходов в оксифториде K3WO3F3 [Текст] / А. С. Крылов [и др.] // Вестник СиБГАУ. - 2012. - № 5. - С. 185-189. - Работа выполнена при финансовой поддержке Российского фонда фундаментальных исследований (грант № 12-02-31205 мол_а, № 11-02-98002, № 12-02-00056), Министерства образования и науки Российской Федерации, соглашение № 8379. . - ISSN 1816-9724
   Перевод заглавия: Investigation of structure phase transitions in oxyfluoride K3WO3F3
Кл.слова (ненормированные):
динамика решетки -- оксифториды -- комбинационное рассеяние света -- lattice dynamics -- oxyfluorides -- raman scattering
Аннотация: Проводилось исследование колебательных спектров оксифторида K3WO3F3 методом комбинационного рассеяния света при различных температурах и в условиях высокого гидростатического давления, а также был выполнен неэмпирический расчет динамики решетки в рамках обобщенной модели Гордона-Кима. Исследования показали, что в криолите K3WO3F 3 в результате фазовых переходов при Т 1 = 452 K и Т 2 = 414 K сегне-тоэлектрическая фаза реализуется за счет смещения атомов калия из положения равновесия, а не за счет упорядочения анионов в октаэдре [WO3АF3][[p]]3-[[/p]].
The article presents investigation of vibrational spectra of oxyfluoride K3WO3F3 by Raman technique at different temperatures and under high hydrostatic pressure; the nonempirical lattice dynamics calculation was carried out in framework of generalized Gordon-Kim model. It was shown, that ferroelectric phase in cryolite K3WO3F3 is realized due to displacements of potassium atoms from equilibrium state, as a result of phase transitions at Т1 = 452 K and Т2 = 414 K, but is not due to ordering of anions atoms in octahedron [WO3F3][[p]]3-[[/p]].

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Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Крылов, Александр Сергеевич; Krylov, A.S.; Софронова, Светлана Николаевна; Sofronova, S.N.; Колесникова, Евгения Михайловна; Горяйнов, Сергей Владимирович; Кочарова, Алла Георгиевна; Kocharova, A.G.
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    Исследование динамики решетки оксифторида Rb2KMoO3F3 / А. С. Крылов [и др.] // Вестник СиБГАУ. - 2012. - № 5. - С. 190-194. - Работа выполнена при финансовой поддержке Российского фонда фундаментальных исследований (грант № 12-02-31205 мол_а, № 11-02-98002, № 12-02-00056), Министерства образования и науки Российской Федерации, соглашение № 8379 . - ISSN 1816-9724
   Перевод заглавия: Investigation of lattice dynamics of oxyfluoride Rb2KMoO3F3
Кл.слова (ненормированные):
динамика решетки -- оксифториды -- комбинационное рассеяние света -- lattice dynamics -- oxyfluorides -- raman scattering
Аннотация: Получены полные спектры КР оксифторида Rb2KMoO3F3 в температурном диапазоне 7-260 K. При температуре T ~ 185 K был обнаружен структурный фазовый переход, рассчитана динамика решетки «разупорядоченного» кристалла Rb2KMoO3F3, в спектре которого присутствуют «мягкие» моды колебаний.
In the work the complete Raman spectra of oxyfluoride Rb2KMoO3F3 in the temperature range 7-260 K were obtained. The structural phase transition at T ~ 185 K was found. The lattice dynamics of disordered crystal was simulated, the calculated spectra contain the «soft» modes of oscillations.

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Крылов, Александр Сергеевич; Krylov, A.S.; Софронова, Светлана Николаевна; Sofronova, S.N.; Колесникова, Евгения Михайловна; Исаенко, Л. И.
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Vibrational spectroscopy of alkaline tungsten oxyfluoride crystals: structure, lattice dynamics, ordering processes, and phase transitions [Text] / A. N. Vtyurin [et al.] // J. Raman Spectrosc. - 2010. - Vol. 41, Is. 12. - P1784-1791, DOI 10.1002/jrs.2637. - Cited Reference Count: 13. - Гранты: We would like to thank Prof. Igor Flerov for fruitful discussion. Technical assistance of Victor Ouskin is highly appreciated. This work has been supported by the Russian Foundation for Basic Researches, grant no. 08-02-00066-a. - Финансирующая организация: Russian Foundation for Basic Researches [08-02-00066-a] . - DEC. - ISSN 0377-0486
Рубрики:

Кл.слова (ненормированные):
Raman scattering -- infrared absorption -- alcaline tungsten oxyfluorides -- phase transitions -- alcaline tungsten oxyfluorides -- infrared absorption -- phasetransitions -- Raman scattering
Аннотация: Raman scattering (RS) and infrared absorption (IR) of ammonium oxyfluoride crystals (NH(4))(3)WO(3)F(3), (NH(4))(2)KWO(3)F(3), and Cs(2)(NH(4))WO(3)F(3) are compared. Conformation of the WO(3)F(3) octahedral groups has been established; anomalies have been found close to the transition temperatures in the internal vibrational regions of ammonium and WO(3)F(3) groups. The phase transition in (NH(4))(3)WO(3)F(3) is associated mostly with the ordering of octahedral groups and formation of W-O center dot center dot center dot H-N hydrogen bonds. In (NH(4))(2)KWO(3)F(3) crystal, the transition is not related to the ordering processes; CS(2)(NH(4))WO(3)F(3) retains its disordered structure down to 10 K. Copyright (C) 2010 John Wiley & Sons, Ltd.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, Inst Chem, Vladivostok 690022, Russia

Доп.точки доступа:
Vtyurin, A.N.; Gerasimova, J.V.; Krylov, A.S.; Ivanenko, A.A.; Shestakov, N.P.; Laptash, N.M.; Voyt, E.I.
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Thermal, optical, and dielectric properties of Fluoride Rb2TaF7 / E. I. Pogorel'tsev [et al.] // Phys. Solid State. - 2017. - Vol. 59, Is. 5. - P. 986-991, DOI 10.1134/S1063783417050250. - Cited References:21. - The reported study was funded by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project no. 16-42-243001. . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   X-RAY
   DISORDER
   NMR
   DIFFRACTION
   OXYFLUORIDE
Аннотация: The thermal, optical, and dielectric properties of fluoride Rb2TaF7 were investigated. It was observed that the variation in chemical pressure in fluorides A2+TaF7 caused by the cation substitution of rubidium for ammonium does not affect the ferroelastic nature of structural distortions, but leads to stabilization of the high- and low-temperature phases and enhancement of birefringence. The entropy of the phase transition P4/nmm ↔ Cmma is typical of the shift transformations, which is consistent with a model of the initial and distorted phase structures. The anisotropy of chemical pressure causes the change of signs of the anomalous strain and baric coefficient dT/dp of Rb2TaF7 as compared with the values for its ammonium analog.

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Публикация на русском языке Тепловые, оптические и диэлектрические свойства Rb2TaF7 [Текст] / Е. И. Погорельцев [и др.] // Физ. тверд. тела : Наука, 2017. - Т. 59 Вып. 5. - С. 959-964

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Fed Res Ctr, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Krasnoyarsk State Pedag Univ, Krasnoyarsk 660060, Russia.
Russian Acad Sci, Inst Chem, Far East Branch, Vladivostok 690022, Russia.

Доп.точки доступа:
Pogorel'tsev, E. I.; Погорельцев, Евгений Ильич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Kartashev, A. V.; Карташев, Андрей Васильевич; Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243001]
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Thermal properties and phase transitions in oxyfluoride (NH4)2NbOf5 / E. V. Bogdanov, M. V. Gorev, V. D. Fokina [et al.] // The 6th International Seminar on Ferroelastic Physics : abstract book. - Voronezh, 2009. - P. 26

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Доп.точки доступа:
Bogdanov, E. V.; Богданов, Евгений Витальевич; Gorev, M. V.; Горев, Михаил Васильевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.; Воронежский государственный технический университет; Российская академия наук; International Seminar on ferroelastic physics (6 ; 2009 ; Sept. 22-25 ; Voronezh); Международный семинар по физике сегнетоэластиков (6(11) ; 2009 ; 22-25 сент. ; Воронеж)
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Thermal expansion, phase diagrams and barocaloric effects in (NH4)(2)NbOF5 / M. . Gorev [et al.] // J. Phys.: Condens. Matter. - 2010. - Vol. 22, Is. 18. - Ст. 185901, DOI 10.1088/0953-8984/22/18/185901. - Cited References: 17. - This work was supported in part by the Krasnoyarsk Regional Foundation for Support of Scientific and Scientific-Technological Investigations and RFBR in the framework of project 'Siberia' (Grant No. 09-02-98001), and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools (project No. Nsh-1011.2008.2). . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
CRYSTAL-STRUCTURE
   SOLID-STATE
   OXYFLUORIDE
   TRANSITION
   ANION
Кл.слова (ненормированные):
Antiferromagnets -- Ferromagnets -- Heat capacities -- High stress -- Intermediate phase -- Pippard relations -- Structural phase transition -- Transition temperature -- Uniaxial pressures -- Financial data processing -- Phase diagrams -- Phase transitions -- Thermal stress -- Tools -- Thermal expansion
Аннотация: The thermal expansion along the a, b and c axes of a (NH4)(2)NbOF5 crystal was measured from 120 to 300 K. Anomalies of alpha(T) associated with previously reported phase transitions Cmc2(1) -> C-2 -> I a were observed along all directions at T-1 = 259.3 K and T-2 = 220.5 K. The analysis of thermal expansion and heat capacity in the frame of the Pippard relations has permitted us to determine the uniaxial pressure derivatives of the transition temperatures dT/d sigma(i). The T-sigma(i) phase diagrams have shown a tendency for the intermediate phase to disappear at high stress along the b and c axes. Intensive and extensive barocaloric effects near the structural phase transitions were found to be comparable with the caloric parameters of some ferroelectrics, ferromagnets and antiferromagnets.

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Держатели документа:
[Gorev, Michail
Bogdanov, Evgeny
Flerov, Igor] Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Gorev, Michail
Flerov, Igor] Siberian Fed Univ, Inst Engn Phys, Krasnoyarsk 660041, Russia
[Laptash, Nataly] Russian Acad Sci, Far Eastern Div, Inst Chem, Vladivostok 690022, Russia
ИФ СО РАН
LVKirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Akademgorodok 660036, Russian Federation
Institute of Engineering Physics, Siberian Federal University, av. Svobodny 79, Krasnoyarsk 660041, Russian Federation
Institute of Chemistry, Far Eastern Division, Russian Academy of Sciences, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Gorev, M.; Bogdanov, E. V.; Богданов, Евгений Витальевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
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    The structure and phase transitions in oxyfluoride (ND4)2MoO2F4 / E. V. Bogdanov [et al.] // Solid State Sci. - 2016. - Vol. 61. - P. 155-160, DOI 10.1016/j.solidstatesciences.2016.08.012. - Cited References: 18. - The authors are grateful to A.G. Kocharova for the synthesis and deuteration of the samples, and to A.A. Sukhovsky and Y.N. Ivanov for the execution of NMR studies to determine the degree of sample deuteration. - This study was partially supported by Russian Foundation for Basic Research, project No. 16–32–00201 mol_а. . - ISSN 1293-2558
   Перевод заглавия: Структура и фазовые переходы в оксифториде (ND4)2MoO2F4
Кл.слова (ненормированные):
Deuterium -- Heavy water -- Single crystals -- X ray analysis -- Crystal phasis -- Deuterations -- Distorted phasis -- Oxyfluorides -- Polarization optics -- Scanning microcalorimetry -- Tricritical point -- Molybdenum oxide
Аннотация: Single crystals of (ND4)2MoO2F4 containing 95% deuterium were produced by repeated recrystallization of (NH4)2MoO2F4 in heavy water. The effect of deuteration on the parameters of successive phase transitions was investigated by differential scanning microcalorimetry and polarization optics. X-ray analysis of the original and distorted phases was performed. It was found that deuteration does not change the sequence of crystal phases typical for (NH4)2MoO2F4, but leads to a shift in the phase transition Cmcm > Pnma towards the tricritical point. The mechanism of phase transitions in (ND4)2MoO2F4 was associated with both the ordering and the displacement of atoms. © 2016 Elsevier Masson SAS

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Держатели документа:
Kirensky Institute of Physics, Siberian Branch of RAS, Krasnoyarsk, Russian Federation
Krasnoyarsk State Agrarian University, Krasnoyarsk, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian State University, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Bogdanov, E. V.; Богданов, Евгений Витальевич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Flerov, I. N.; Флёров, Игорь Николаевич
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Melnikova, S. V.
The role of structural and nonstructural water in oxyfluoride K2WO2F4 center dot H2O / S. V. Melnikova, A. D. Vasilev, A. G. Kocharova // Phys. Solid State. - 2011. - Vol. 53, Is. 12. - P. 2435-2440, DOI 10.1134/S1063783411120146. - Cited References: 16. - This work was supported by the Presidential Grant of the Russian Federation NSh-4645.2010.2, by the Russian Foundation for Basic Research, project no. 09-02-00062, and by the Integration Project of the Siberian Branch of the Russian Academy of Sciences no. 101. . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   OXOPEROXOFLUORO COMPLEXES
   MO V
   CRYSTAL STRUCTURE
   OXOFLUORO
   (NH4)(2)NBOF5
   (NH4)(2)WO2F4
   MONOHYDRATE
   DISORDER
Аннотация: X-ray structural and polarization optical investigations have been performed, and birefringence and rotation angles of the optical indicatrix phi (b) and phi (c) of the K2WO2F4 center dot H2O crystal have been measured in the temperature range of 100-600 K. The structure and symmetry of compounds at room temperature have been refined. It has been established that the layered crystal K2WO2F4 center dot H2O can exist in two states (A and B) depending on the atmospheric humidity and undergoes the sequence of reversible and irreversible phase transformations G (3)↔ G (2)↣ G (1)↣ G (0). The sequences of changes in the phase symmetry P (1) over bar↔C2/m↣ {4/nmm for samples A and m↔ C2/m↣P4/nmm for samples B havve been found. The second older proper ferroelastic phase transition (P(1) over bar↔ C2/m) at T-03 = 2700-290 K (G (3)↔ G (2)) is accompanied by twinning and appearance of the shift deformation x (6). The crystal system of the substance for the B crystals remains invariable after the second-order phase transition G (3) a dagger" G (2). The irreversible first-order phase transition G (2)↣ G (1) occurs in a temperature range T (02) a parts per thousand 350-380 K; it is accompanied by the loss of the crystallization water, which then is reduced easily from the atmosphere for a day. The substance decomposes at T (01) approximate to 510 K (G (1)↣ G (0)). The distinction between the A and B crystals has been explained by the presence or absence of free water in interlayer spacings.

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Держатели документа:
[Melnikova, S. V.
Vasilev, A. D.
Kocharova, A. G.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Vasilev, A. D.; Kocharova, A. G.; Кочарова, Алла Георгиевна; Мельникова, Светлана Владимировна
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10.

The nonemperical calculations of the lattice dynamics of the oxyfluoride RB2KTiOF5 [Text] / S. N. Sofronova // 12th European Meeting on Ferroelectricity : Abstracts. - 2011. - Ст. PI-21

Доп.точки доступа:
Sofronova, S.N.; European Meeting on Ferroelectricity(12 ; 2011 ; 26 June - 1 July ; Bordeaux, France)
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11.

Synthesis, structural, magnetic, and electronic properties of cubic CsMnMoO3F3 oxyfluoride / V. V. Atuchin [et al.] // J. Phys. Chem. C. - 2012. - Vol. 116, Is. 18. - P. 10162-10170, DOI 10.1021/jp302020f. - 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). . - ISSN 1932-7447

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
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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Держатели документа:
Atuchin, Victor V.
Gavrilova, Tatyana A.
Kesler, Valery G.] SB RAS, Inst Semicond Phys, Novosibirsk 630090, Russia
Molokeev, Maxim S.
Yurkin, Gleb Yu.
Flerov, Igor N.
Patrin, Gennadii S.] SB RAS, Inst Phys, Krasnoyarsk 660036, Russia
Laptash, Natalia M.] FEB RAS, Inst Chem, Vladivostok 690022, Russia
Flerov, Igor N.
Patrin, Gennadii S.] Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia

Доп.точки доступа:
Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yurkin, G. Yu.; Юркин, Глеб Юрьевич; Gavrilova, T. A.; Kesler, V. G.; Laptash, N. M.; Flerov, I. N.; Флёров, Игорь Николаевич; Patrin, G. S.; Патрин, Геннадий Семёнович
}
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12.

Synthesis and structural properties of cubic G0-Rb2KMoO3F3 oxyfluoride / V. V. Atuchin [et al.] // Ceram. Int. - 2012. - Vol. 38, Is. 3. - P. 2455-2459, DOI 10.1016/j.ceramint.2011.11.013. - Cited References: 23. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34). . - ISSN 0272-8842

РУБ Materials Science, Ceramics
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
Кл.слова (ненормированные):
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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Держатели документа:
[Atuchin, V. V.] SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090 90, Russia
[Gavrilova, T. A.] SB RAS, Inst Semicond Phys, Lab Nanolithog & Nanodiagnost, Novosibirsk 630090 90, Russia
[Isaenko, L. I.
Zhurkov, S. A.] SB RAS, Inst Geol & Mineral, Lab Crystal Growth, Novosibirsk 530090 90, Russia
[Kesler, V. G.] SB RAS, Inst Semicond Phys, Lab Phys Principles Integrated Microelect, Novosibirsk 630090 90, Russia
[Molokeev, M. S.] SB RAS, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036 36, Russia

Доп.точки доступа:
Atuchin, V. V.; Gavrilova, T. A.; Isaenko, L. I.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhurkov, S. A.
}
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13.

Synthesis and microstructure of cubic G0-Rb2MoO3F3 oxyfluoride / T. A. Gavrilova [et al.] ; Рос. акад. наук, Сиб. отд-ние // Тезисы IX научной конференции «Аналитика Сибири и Дальнего востока». - 2012. - P. 221

http://conf.sfu-kras.ru/conf/asfe12/sect?sec_id=690
Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Gavrilova, T. A.; Atuchin, V. V.; Атучин, Виктор Валерьевич; Isaenko, L. I.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhurkov S.A.; Сибирский федеральный университет; Научный совет по аналитической химии Сибирского отделения Российской академии наук; Сибирское отделение РАН; Российская академия наук; "Аналитика Сибири и Дальнего Востока", научная конференция (9 ; 8-13 октября 2012 ; Красноярск, Россия)
}
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14.

Synthesis and microstructural properties of cubic CsMnMoO3F3 oxyfluoride / T. A. Gavrilova [et al.] // Тезисы IX научной конференции «Аналитика Сибири и Дальнего востока». - 2012. - P. 220

http://conf.sfu-kras.ru/conf/asfe12/sect?sec_id=690

Доп.точки доступа:
Gavrilova, T. A.; Laptash, N. M.; Atuchin, V. V.; Атучин, Виктор Валерьевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Сибирский федеральный университет; Научный совет по аналитической химии Сибирского отделения Российской академии наук; Сибирское отделение РАН; Российская академия наук; "Аналитика Сибири и Дальнего Востока", научная конференция (9 ; 8-13 октября 2012 ; Красноярск, Россия)
}
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15.

Synthesis and microstructural properties of cubic CsMnMoO3F3 oxyfluoride / V. V. Atuchin [et al.] // XVI Международная конференция "Опто-, наноэлектроника, нанотехнологии и микросистемы" : Труды. - Ульяновск, 2012. - P. 123-124

Доп.точки доступа:
Atuchin, V. V.; Атучин, Виктор Валерьевич; Gavrilova, T. A.; Laptash, N. M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Институт нанотехнологий микроэлектроники РАН; Ульяновский государственный университет; Российский фонд фундаментальных исследований; Академия наук Татарстана; "Opto-, nanoelectronics, nanotechnology, and microsystems", International Conference (2012 ; sept. ; 4-7 ; Ulyanovsk, Russia); "Опто-, наноэлектроника, нанотехнологии и микросистемы", международная конференция (2012 ; сент. ; 4-7 ; Ульяновск)
}
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16.

Structure transformations during phase transitions in the K 3WO 3F 3 oxyfluoride / M. S. Molokeev [et al.] // Physics of the Solid State. - 2011. - Vol. 53, Is. 4. - P. 834-839, DOI 10.1134/S1063783411040251 . - ISSN 1063-7834
Аннотация: The structures of three phases of the K 3WO 3F 3 crystal have been determined from X-ray diffraction data obtained for a powder sample. The profile and structural parameters have been refined according to the technique implemented in the DDM program. The results obtained have been discussed using the group-theoretical analysis of the complete order parameter condensate, which takes into account the critical and noncritical atomic displacements and allows the interpretation of the experimental data. The sequence of structural transformations is found to be as follows. В© 2011 Pleiades Publishing, Ltd.

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Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Misyul', S. V.; Мисюль, Сергей Валентинович; Fokina, V. D.; Фокина, Валентина Дмитриевна; Kocharova, A. G.; Кочарова, Алла Георгиевна; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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17.

    Structural, spectroscopic, and electronic properties of cubic G0-Rb2KTiOF5 oxyfluoride / V. V. Atuchin [et al.] // J. Phys. Chem. C. - 2013. - Vol. 117, Is. 14. - P. 7269-7278, DOI 10.1021/jp401391y. - 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). . - ISSN 1932-7447
   Перевод заглавия: Структурные, спектроскопические и электронные свойства кубического оксифторида G0-Rb2KTiOF5.

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
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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Держатели документа:
Russian Acad Sci, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia
Russian Acad Sci, Inst Geol & Mineral, Lab Crystal Growth, Siberian Branch, Novosibirsk 630090, Russia
Russian Acad Sci, Inst Semicond Phys, Lab Phys Bases Integrated Microelect, Siberian Branch, Novosibirsk 630090, Russia
Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, BCCRD, Beijing 100190, Peoples R China
Russian Acad Sci, Siberian Branch, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
Chinese Acad Sci, Grad Sch, Beijing 100049, Peoples R China

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Kang, L.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A.
}
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18.

Molokeev, M. S.
Structural transformations and the critical and noncritical parameters during the phase transition in the (NH4)(2)KWO3F3 oxyfluoride / M. S. Molokeev, S. V. Misyul' // Phys. Solid State. - 2011. - Vol. 53, Is. 8. - P. 1672-1679, DOI 10.1134/S1063783411080208. - Cited References: 18. - This study was supported by the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (grant no. NSh-4645.2010.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
MOLECULAR CRYSTALS
DISORDER
(NH4)(3)WO3F3
Аннотация: The structures of two phases of the (NH4)(2)KWO3F3 crystal have been determined from X-ray diffraction data obtained for a powder sample. The profile and structural parameters have been refined according to the procedure implemented in the DDM program. The results obtained have been discussed with invoking the group-theoretical analysis of the complete order parameter condensate, which takes into account the critical and noncritical atomic orderings and allows one to interpret the experimental data. It has been found that the symmetry transformation in the crystal can be schematically represented in the form Fm (3) over barm (10-10((X) over bar5)) - ((eta, 0, 0, 0, 0, 0)) Pmmn.This transformation is accompanied by the ordering of WO3F3 polyhedra and the displacement of NH4 and K ions.

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Держатели документа:
[Molokeev, M. S.] Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
[Misyul', S. V.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Svobodnyi pr. 79, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Misyul', S. V.; Мисюль, Сергей Валентинович; Молокеев, Максим Сергеевич
}
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19.

Molokeev, M. S.
Structural changes during phase transitions and the critical and noncritical order parameters in the (NH4)3Nb(O2)2F4 crystal / M. S. Molokeev, S. V. Misyul' // Phys. Solid State. - 2012. - Vol. 54, Is. 1. - P. 143-154, DOI 10.1134/S1063783412010234. - Cited References: 17. - 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 (grant no. NSh-4645.2010.2). . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
TRANSFORMATIONS
OXYFLUORIDE
CELL
Аннотация: The structures of two phases of the (NH4)3Nb(O2)2F4 crystal, namely, the parent cubic phase and the most distorted low-temperature phase, have been determined from data of an X-ray diffraction experiment performed for a powder sample. The profile and structural parameters have been refined according to the procedure implemented in the DDM program. The results obtained have been discussed with invoking the group-theoretical analysis of the complete order parameter condensate, which takes into account the critical and noncritical atomic displacements and allows the interpretation of the obtained experimental data. It has been found that the most probable sequence of structural transformations occurring in the crystal can be schematically represented in the following form: Fm3¯m−→−−−−(η1,η1,η)Γ+5(11−7)C2/m−→−−−−−−−−−−−−−−−−(η1,η1,η)(0,0,0,0,0,ξ,0−ξ,0,0,0,0)Γ+5(11−7)⊗Σ2(4−2)P21/m−→−−−−−−−−−−−−−−−−−−−−−−−−−−−−(η1,η1,η)(0,0,0,0,0,ξ,0−ξ,0,0,0,0)(0,0,0,0,0,ε,0,ε,0,0,0,0)Γ+5(11−7)⊗Σ2(4−2)⊗Σ3(4−3)P21/n.\begin{gathered} Fm\bar 3m\xrightarrow[{(\eta 1,\eta 1,\eta )}]{{\Gamma _5. + (11 - 7)}}C2/m\xrightarrow[{(\eta 1,\eta 1,\eta )(0,0,0,0,0,\xi ,0 - \xi ,0,0,0,0)}]{{\Gamma _5. + (11 - 7) \otimes \Sigma _2 (4 - 2)}}P2_1 /m \hfill \\ \xrightarrow[{(\eta 1,\eta 1,\eta )(0,0,0,0,0,\xi ,0 - \xi ,0,0,0,0)(0,0,0,0,0,\varepsilon ,0,\varepsilon ,0,0,0,0)}]{{\Gamma _5. + (11 - 7) \otimes \Sigma _2 (4 - 2) \otimes \Sigma _3 (4 - 3)}}P2_1 /n. \hfill \\ \end{gathered}

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Публикация на русском языке Молокеев, Максим Сергеевич. Структурные изменения при фазовых переходах, критические и некритические параметры порядка в кристалле(NH4)3Nb(O2)2F4 [Текст] / М. С. Молокеев, С. В. Мисюль // Физ. тверд. тела : Физико-технический институт им. А.Ф.Иоффе РАН, 2012. - Т. 54 Вып. 1. - С. 134-143

Держатели документа:
[Molokeev, M. S.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Misyul', S. V.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Misyul', S. V.; Мисюль, Сергей Валентинович; Молокеев, Максим Сергеевич
}
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20.

Structural and electronic parameters of ferroelectric K3WO3F3 / V. V. Atuchin [et al.] // Solid State Commun. - 2010. - Vol. 150, Is. 43-44. - P. 2085-2088, DOI 10.1016/j.ssc.2010.09.023. - Cited References: 34. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34). . - ISSN 0038-1098

РУБ Physics, Condensed Matter
Рубрики:
CORE-LEVEL SPECTROSCOPY
   PHASE-TRANSITIONS
   RHEED ANALYSIS
   SURFACE
   OXYFLUORIDE
   ELPASOLITE
   (NH4)(2)KWO3F3
   SUBSTITUTION
   TEMPERATURE
   DIFFRACTION
Кл.слова (ненормированные):
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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Держатели документа:
[Atuchin, V. V.] SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
[Gavrilova, T. A.] SB RAS, Inst Semicond Phys, Lab Nanolithog & Nanodiagnost, Novosibirsk 630090, Russia
[Kesler, V. G.] SB RAS, Inst Semicond Phys, Lab Phys Principles Integrated Microelect, Novosibirsk 630090, Russia
[Molokeev, M. S.
Aleksandrov, K. S.] SB RAS, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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