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Zinenko, V. I.
Statistical mechanics of cation ordering in PbSc1/2Ta1/2O3 and PbSc1/2Nb1/2O3 solid solutions / V. I. Zinenko, S. N. Sofronova // Phys. Solid State. - 2005. - Vol. 47, Is. 12. - P. 2309-2314, DOI 10.1134/1.2142896. - Cited References: 17 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITION
   PEROVSKITE
   DISORDER
   FERROELECTRICS
   CRYSTALS
   MODEL
Аннотация: A model Hamiltonian for B cation ordering (Sc-Nb(Ta)) in PbSc1/2Nb1/2O3 and PbSc1/2Ta1/2O3 solid solutions is constructed. The parameters of the model Hamiltonian are determined from the ab initio calculation within the ionic crystal model with allowance made for the deformability and the dipole and quadrupole polarizabilities of the ions. The temperatures of the phase transition due to the ordering of the B cations are calculated by the Monte Carlo method in the mean-field and cluster approximations. The phase transition temperatures calculated by the Monte Carlo method (1920 K for PbSc1/2Ta1/2O3 and 1810 K for PbSc1/2Nb1/2O3) are consistent with the experimental data (1770 and 1450 K, respectively). The thermodynamic properties of the cation ordering are investigated using the Monte Carlo method. (c) 2005 Pleiades Publishing, Inc.

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Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, 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:
Sofronova, S. N.; Софронова, Светлана Николаевна; Зиненко, Виктор Иванович
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Zhandun, V. S.
Lattice dynamics and the ferroelectric phase transition in ordered Pb-2 B'BaEuro(3)O(6) (B' = Ga, In, Lu; BaEuro(3) = Nb, Ta) solid solutions / V. S. Zhandun, N. G. Zamkova, V. I. Zinenko // Phys. Solid State. - 2010. - Vol. 52, Is. 2. - P. 357-363, DOI 10.1134/S1063783410020228. - Cited References: 19. - This study is supported by the Russian Foundation for Basic Research (project no. 09-02-00067) and the Council on Grants from the President of the Russian Federation for Support of the Leading Scientific Schools (grant no. NSh-4137.2006.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PEROVSKITES
   CRYSTALS
   DISORDER
   RELAXOR
   BATIO3
   PBTIO3
Аннотация: The lattice vibration spectrum, rf permittivity, and dynamic Born charges have been calculated for ordered Pb-2 B'BaEuro(3)O(3) (B'=Ga, In, Lu; BaEuro(3)=Nb, Ta) solid solutions in terms of the generalized Gordon-Kim model. It has been shown that all compounds exhibit a ferroelectric instability and that the frequencies of "soft" ferroelectric modes are close in magnitude. The ferroelectric phase-transition temperatures and the spontaneous polarization in the ferroelectric phase of the solid solutions under consideration have been calculated by the Monte Carlo method using the model Hamiltonian in the local mode approximation. The transition temperature is found to increase with increasing atomic number of the B' ion.

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Держатели документа:
[Zhandun, V. S.
Zamkova, N. G.
Zinenko, V. I.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zinenko, V. I.; Зиненко, Виктор Иванович; Жандун, Вячеслав Сергеевич
}
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Thermophysical studies of the phase transitions in (NH4)(3)NbOF6 crystals / V. D. Fokina [et al.] // Phys. Solid State. - 2007. - Vol. 49, Is. 8. - P. 1548-1553, DOI 10.1134/S1063783407080240. - This work was supported by the Russian Foundation for Basic Research (project no. 06-02-16102), Krasnoyarsk Regional Science Foundation (project no.16G098), and the Council on Grants from President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (project NSh-4137.2006.2). - Cited References: 17 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
OXYFLUORIDES
   DISORDER
   RB
   CS
Аннотация: The thermophysical properties of oxyfluoride (NH4)(3)NbOF6 were studied in detail over wide ranges of temperatures and pressures. At atmospheric pressure, a sequence of four structural phase transitions was established with the following changes in entropy: Delta S (1) = Rln 2.7, delta S (2) = Rln38.3, Delta S (3) = 0.08R, and Delta S (4) = 0.17R. An external hydrostatic pressure was found to narrow the region of existence of the initial cubic phase. A triple point was detected in the p-T diagram; at a pressure above 0.07 GPa, the transition between the tetragonal and monoclinic phases occurs through a distorted high-pressure phase.

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Публикация на русском языке Теплофизические исследования фазовых переходов в кристалле (NH4)3NBOF6 [Текст] / Н. Б. Иванова [и др.] // Физ. тверд. тела. - 2007. - Т. 49 Вып. 8. - С. 1475-1479

Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Far E Div, Inst Chem, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Chemistry, Far East Division, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Bovina, A. F.; Бовина, Ася Федоровна; Laptash, N. M.
}
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Thermodynamic Properties and Structure of Oxyfluorides Rb(2)KMoO(3)F(3) and K(2)NaMoO(3)F(3) / E. I. Pogorel'tsev [et al.] // Phys. Solid State. - 2011. - Vol. 53, Is. 6. - P. 1202-1211, DOI 10.1134/S1063783411060266. - 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). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Держатели документа:
[Pogorel'tsev, E. I.
Gorev, M. V.
Flerov, I. N.] Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia
[Bogdanov, E. V.
Molokeev, M. S.
Voronov, V. N.
Gorev, M. V.
Flerov, I. N.] Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia
[Isaenko, L. I.
Zhurkov, S. A.] Russian Acad Sci, Siberian Branch, Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia
[Laptash, N. M.] Russian Acad Sci, Far Eastern Branch, Inst Chem, Vladivostok 690022, Russia
ИФ СО РАН
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, pr. Svobodnyi 79, Krasnoyarsk 660041, Russian Federation
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, pr. Akademika Koptyuga 3, Novosibirsk 630090, Russian Federation
Institute of Chemistry, Far Eastern Branch, Russian Academy of Sciences, ul. Stoletiya Vladivostoka 159, Vladivostok 690022, Russian Federation

Доп.точки доступа:
Pogorel'tsev, E. I.; Bogdanov, E. V.; Богданов, Евгений Витальевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Voronov, V. N.; Воронов, Владимир Николаевич; Isaenko, L. I.; Zhurkov, S. A.; Laptash, N. M.; Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич
}
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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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Specific heat, cell parameters, phase T-p diagram, and permittivity of cryolite (NH4)(3)Nb(O-2)(2)F-4 / V. D. Fokina [et al.] // Phys. Solid State. - 2011. - Vol. 53, Is. 10. - P. 2147-2153, DOI 10.1134/S1063783411100131. - Cited References: 19. - This study was performed within the Interdisciplinary integration project of the Siberian Branch of the Russian Academy of Science no. 34 and supported by the grant of the President of the Russian Federation for Leading Scientific Schools of the Russian Federation (NSh-4645.2010.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
CRYSTAL-STRUCTURES
   TRANSITIONS
   (NH4)(3)TIOF5
   OXYFLUORIDE
   COMPLEXES
   CAPACITY
   DISORDER
Аннотация: The temperature dependences of the specific heat, unit cell parameters, susceptibility to hydrostatic pressure, and permittivity of cryolite (NH4)(3)Nb(O-2)(2)F-4 have been studied. Phase transitions of nonferroelectric nature have been detected. Entropy parameters point to the relation of structure distortions to ordering processes.

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Держатели документа:
[Fokina, V. D.
Bovina, A. F.
Bogdanov, E. V.
Pogorel'tsev, E. I.
Gorev, M. V.
Flerov, I. N.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Far Branch E, Vladivostok 690022, Russia
[Gorev, M. V.
Flerov, I. N.] Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Science, Akademgorodok 50, Krasnoyarsk 660036, Russian Federation
Institute of Chemistry, Far-East Branch of the Russian Academy of Sciences, pr. 100 Let Vladivostoku 159, Vladivostok 690022, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, pr. Svobodnyi 79, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Fokina, V. D.; Фокина, Валентина Дмитриевна; Bovina, A. F.; Бовина, Ася Федоровна; Bogdanov, E. V.; Богданов, Евгений Витальевич; Pogorel'tsev, E. I.; Laptash, N. M.; Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич
}
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Solovyov, L. A.
Complete crystal structure of decafluorocyclohex-1-ene at 4.2 K from original neutron diffraction data / L. A. Solovyov, A. S. Fedorov, A. A. Kuzubov // Acta Crystallogr. B. - 2014. - Vol. 70. - P. 395-397, DOI 10.1107/S2052520613031028. - Cited References: 20 . - ISSN 0108-7681. - ISSN 1600-5740

РУБ Crystallography
Рубрики:
AUGMENTED-WAVE METHOD
   POWDER DIFFRACTION
   NORMAL-BUTANE
   REFINEMENT
   DISORDER
Аннотация: The crystal structure model of decafluorocyclohex-1-ene at 4.2 K derived from simulated powder diffraction data and solid-state energy minimization [Smrcok et al. (2013). Acta Cryst. B69, 395-404] is found to be incomplete. In this study it is completed by an additional alternative molecular orientation revealed from the difference density analysis and direct space search. The structure is refined by the derivative difference method in the rigid-body approximation leading to perfect agreement between observed and calculated neutron powder patterns.

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Держатели документа:
Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Krasnoyarsk Railway Transport Inst, Krasnoyarsk 660028, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia;ИХХТ СО РАН

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Kuzubov, A. A.; Кузубов, Александр Александрович; Соловьев, Леонид Александрович
}
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    Reconstructive phase transition in (NH4)3TiF7 accompanied by the ordering of TiF6 octahedra / M. S. Molokeev [et al.] // Acta Crystallogr. B. - 2014. - Vol. 70. - P. 924-931, DOI 10.1107/S2052520614021192. - This study was supported by Russian Fund of Basic Research, project No. 12-02-00056 a . - ISSN 0108-7681. - ISSN 1600-5740
   Перевод заглавия: Реконструктивный фазовый переход в (NH4)3TiF7, сопровождающийся упорядочением октаэдров TiF6

РУБ Crystallography
Рубрики:
CRYSTAL-STRUCTURE
   NEUTRON-DIFFRACTION
   POWDER DIFFRACTION
   FLUORIDES
   DISORDER
   MECHANISM
   PATHWAYS
   COMPLEX
   LI3THF7
   ALPHA
Кл.слова (ненормированные):
reconstructive phase transition -- ammonium heptafluorotitanate -- order-disorder transition
Аннотация: An unusual phase transition P4/mnc →Pa3 has been detected after cooling the (NH4)3TiF7 compound. Some TiF6 octahedra, which are disordered in the room-temperature tetragonal structure, become ordered in the low-temperature cubic phase due to the disappearance of the fourfold axis. Other TiF6 octahedra undergo large rotations resulting in huge displacements of the F atoms by 1.5-1.8 Å that implies a reconstructive phase transition. It was supposed that phases P4/mbm and Pm3m could be a high-temperature phase and a parent phase, respectively, in (NH4)3TiF7. Therefore, the sequence of phase transitions can be written as Pm3m → P4/bm → P4/mnc → Pa3. The interrelation between (NH4)3TiF7, (NH4)3GeF7 and (NH4)3PbF7 is found, which allows us to suppose phase transitions in relative compounds.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian State Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660074, Russia
Inst Chem, Vladivostok 660022, Russia

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Misjul, S. V.; Мисюль, Сергей Валентинович; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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Raman spectroscopic study of the lattice dynamics in the Rb2KMoO3F3 oxyfluoride / A. S. Krylov [et al.] // Phys. Solid State. - 2012. - Vol. 54, Is. 6. - P. 1275-1280, DOI 10.1134/S1063783412060170. - 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). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
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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Публикация на русском языке Исследование динамики решетки оксифторида Rb2KMoO3F3 методом комбинационного рассеяния света [Текст] / А. С. Крылов [и др.] // Физ. тверд. тела : Физико-технический институт им. А.Ф.Иоффе РАН, 2012. - Т. 54 Вып. 6. - С. 1191-1196

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Merkushova, E. M.; Меркушова, Евгения Михайловна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Isaenko, L. I.; Исаенко Л.И.
}
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10.

Raman scattering study of temperature induced phase transitions in crystalline ammonium heptafluorozirconate, (NH4)3ZrF7 / A. S. Krylov [et al.] // Vib. Spectrosc. - 2012. - Vol. 62. - P. 258-263, DOI 10.1016/j.vibspec.2012.07.003. - Cited References: 31. - This work was partly supported by integration project SB RAS No 28, Russian Foundation for Basic Research project No 11-02-98002-r_siberia, No 12-02-00056, SS-4828.2012.2. The authors are grateful to Dr. I.N. Flerov for helpful discussions. The assistance of Dr. S. Skokov is sincerely appreciated. . - ISSN 0924-2031

РУБ Chemistry, Analytical + Chemistry, Physical + Spectroscopy
Рубрики:
VIBRATIONAL-SPECTRA
   X-RAY
   DISORDER
   DIFFRACTION
   ELPASOLITE
   SYMMETRY
   RB2KSCF6
   IF7
Кл.слова (ненормированные):
Raman spectroscopy -- Phase transition -- Ammonium heptafluorozirconate -- Low temperature
Аннотация: This paper reports on a Raman spectroscopy investigation of phase transitions in (NH4)3ZrF7 crystal. Raman spectra were obtained and analyzed in a wavenumber range from 3800 to 15 cm−1 and in the temperature range from 7 to 360 K. The anomalies caused by a series of subsequent structural phase transitions have been analyzed. A soft phonon mode restoring in the distorted phase was found. The spectral changes observed in the current study are similar to those typically found in phase transitions near a tricritical point. The spectral changes in the middle wavenumber range, 700–150 cm−1, indicate that the phase transitions are due to structural ordering of pentagonal ZrF73− bipyramids. Spectral data also show that a phase transition near 225 K is accompanied by an increase of the unit cell volume. In addition, spectral changes in the range of internal vibrations of ammonium ions indicate that the ion's motion slows down with decrease of temperature.

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Держатели документа:
[Krylov, A. S.
Krylova, S. N.
Vtyurin, A. N.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Vladivostok 690022, Russia

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Laptash, N. M.; Vtyurin, A. N.; Втюрин, Александр Николаевич
}
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