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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mel'nikova S. V., Molokeev M. S., Laptash N. M., Pogoreltsev E. I., Misyul S. V., Flerov I. N.
Заглавие : Sequence of phase transitions in (NH4)3SiF7
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2017. - Vol. 46, Is. 8. - P.2609-2617. - ISSN 14779226 (ISSN), DOI 10.1039/c6dt04874a
Примечания : Cited References: 26. - The reported study was partially supported by RFBR, research project no. 15-02-02009a.
Ключевые слова (''Своб.индексиров.''): group theory--single crystals--x ray diffraction--atomic displacement--double salts--driving forces--group-theoretical analysis--order parameter--polarization optics--temperature changes--hydrogen bonds
Аннотация: Single crystals of silicon double salt (NH4)3SiF7 = (NH4)2SiF6·NH4F = (NH4)3[SiF6]F were grown and studied by the methods of polarization optics, X-ray diffraction and calorimetry. A sequence of symmetry transformations with the temperature change was established: P4/mbm (Z = 2) (G1) ↔ Pbam (Z = 4) (G2) ↔ P21/c (Z = 4) (G3) ↔ P1 (Z = 4) (G4) ↔ P21/c (Z = 8) (G5). Crystal structures of different phases were determined. The experimental data were also interpreted by a group-theoretical analysis of the complete condensate of order parameters taking into account critical and noncritical atomic displacements. Strengthening of the N–H⋯F hydrogen bonds can be a driving force of the observed phase transitions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sevryukov R. G., Safonov I. N., Molokeev M. S., Misyul S. V.
Заглавие : Phases of anionic ordering in elpasolite structures (Ordered perovskites)
Место публикации : J. Sib. Fed. Univ. Math. Phys. - 2016. - Vol. 9, Is. 1. - P.108-118. - ISSN 1997-1397, DOI 10.17516/1997-1397-2016-9-1-108-118; Журн. СФУ. Сер. "Математика и физика"
Примечания : Cited References: 20. - The research is conducted within the framework of the state task of Ministry of Education and Science of the Russian Federation to Siberian Federal University on R&D performance in 2015 (Task 3.2534.2015/K)
Ключевые слова (''Своб.индексиров.''): elpasolite--structural data--complete condensate of order parameters--irreducible representations--critical distortion--phase transition--dissymmetric phases--эльпасолит--структурные данные--полный конденсат параметров порядка--неприводимые представления--критические искажения--фазовый переход--диссимметричные фазы
Аннотация: The 108 dissymmetric phases were obtained as a result of X anions ordering in elpasolite structure A2BB′X6 (ordered perovskite) using group theoretical methods. The critical order parameters which transform according to the irreducible representations of Γ and X points of Brillouin zone of O5 h— F m3m space group were considered only. Polyhedral structures showed for dissymmetric phases which are ac- companied by appearing of ferroelectricity at phase transition. All results are summarized in convenient tables. © Siberian Federal University. All rights reserved.Теоретико-групповыми методами получено 108 диссимметричных фаз, возникающих в результате упорядочения анионов X в структуре эльпасолита A2BB ′ X6 (упорядоченного перовскита). Из критических параметров порядка рассмотрены только такие, которые преобразуют- ся по неприводимым представлениям точек Γ и X зоны Бриллюэна пространственной группы O5 h —F m3m. Для диссимметричных фаз, переходы в которые могут сопровождаться возникновением сегнетоэлектричества, приведены полиэдрические изображения структур. Все результаты собраны в удобных для использования таблицах.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mel'nikova S. V., Molokeev M. S., Laptash N. M., Misyul S. V.
Заглавие : A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization
Коллективы : RFBR [15-02-02009 a]
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2016. - Vol. 45, Is. 12. - P.5321-5327. - ISSN 1477-9226, DOI 10.1039/c5dt04907e. - ISSN 1477-9234(eISSN)
Примечания : Cited References:25. - The reported study was partially supported by RFBR, research project no. 15-02-02009 a
Предметные рубрики: Crystal-structure
Powder diffraction
NH4F
Fluorination
Аннотация: Single crystals of germanium double salt (NH4)3GeF7 = (NH4)2GeF6·NH4F = (NH4)3[GeF6]F were grown and studied by the methods of polarization optics and X-ray diffraction. The birefringence Δn = (no − ne), the rotation angle of the optical indicatrix ϕ(T) and unit cell parameters were measured in the temperature range 100–400 K. Three structural phase transitions were found at the temperatures: T1↓ = 279.2 K (T1↑ = 279.4 K), T2↑ = 270 K (T2↓ = 268.9 K), T3↓ = 218 K (T3↑ = 227 K). An unusual sequence of symmetry transformations with temperature change was established: P4/mbm (Z = 2) (G1) ↔ Pbam (Z = 4) (G2) ↔ P21/c (Z = 4) (G3) ↔ Pa (Z = 8) (G4). The crystal structures of different phases were determined. The experimental data were additionally interpreted by a group-theoretical analysis of the complete condensate of order parameters taking into account the critical and noncritical atomic displacements. Strengthening of the N–H⋯F hydrogen bonds can be a driving force of the observed phase transitions.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylov A. S., Molokeev M. S., Misyul S. V., Krylova S. N., Oreshonkov A. S., Ivanenko A. A., Zykova V. A., Ivanov Y. N., Sukhovsky A. A., Voronov V. N., Safonov I. N., Vtyurin A. N.
Заглавие : Crystal structure and phase transitions of a layered perovskite-like CsScF4 crystal
Коллективы : Russian Foundation for Basic Research [16-02-00102]
Место публикации : CrystEngComm: Royal Society of Chemistry, 2016. - Vol. 18, Is. 43. - P.8472-8486. - ISSN 1466-8033, DOI 10.1039/c6ce01144f
Примечания : Cited References:47. - The authors are grateful to Prof. I. N. Flerov for valuable support and useful discussions. This work was partly supported by the Russian Foundation for Basic Research, Project 16-02-00102. The research is partially conducted within the framework of the state task of the Ministry of Education and Science of the Russian Federation for Siberian Federal University on R&D performance in 2014 (Task 3.2534.2014/K). X-ray data from powders, Raman NMR, and IR spectra were obtained with use the analytical equipment of Krasnoyarsk Center of collective use SB RAS.
Предметные рубрики: NEGATIVE THERMAL-EXPANSION
RAMAN-SCATTERING
LATTICE-DYNAMICS
Аннотация: This work is devoted to the complex research on temperature phase transitions in a CsScF4 crystal. The crystal structure was solved and refined at different temperatures by using the Rietveld method. Structural phase transitions were investigated by using the following spectroscopic methods, some of them for the first time: Brillouin spectroscopy, Raman spectroscopy, IR absorption spectroscopy and NMR. The symmetry analysis of the Brillouin zone center of all phases is presented. The vibrational spectra of the crystal in three phases have been calculated. The structural phase transition mechanism was determined. The transitions at T-1 = 475 K and T-2 = 317.5 K are of displacement type. The Raman soft modes have been associated with rotations of the ScF6 octahedral group.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Drokina T. V., Petrakovskii G. A., Molokeev M. S., Misyul S. V., Bondarev V. S., Velikanov D. A., Frontzek M., Schefer J.
Заглавие : Crystal and magnetic structures, phase transitions in quasi-one-dimensional pyroxenes Na0.5Li0.5FeGe2O6
Коллективы : Ministry of Education and Science of the Russian Federation of Siberian Federal University
Место публикации : J. Magn. Magn. Mater.: Elsevier Science, 2015. - Vol. 385. - P.243-249. - ISSN 0304, DOI 10.1016/j.jmmm.2015.03.016. - ISSN 18734766(eISSN)
Примечания : Cited References:25. - Neutron beam time at the cold neutron powder diffractometer DMC at the Swiss spallation neutron source SINQ Paul Scherrer Institut, Switzerland is gratefully acknowledged. MF acknowledges funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under Grant Agreement no. 290605 (PSIFELLOW/COFUND). This work was also supported by Ministry of Education and Science of the Russian Federation of Siberian Federal University 2014 year (Assignment no. 3.2534.2014/K).
Предметные рубрики: CLINOPYROXENE-TYPE LIFEGE2O6
NAFESI2O6
LIFESI2O6
Ключевые слова (''Своб.индексиров.''): phase transition--magnetic structure--pyroxene--magnetic properties--calorimetric measurements
Аннотация: The possibility of cation substitution in pyroxenes allows the investigation the gradual change of structural and magnetic properties under doping in these compounds. Here, Na0.5Li0.5FeGe2O6 was prepared by the standard solid-phase reaction method and has been investigated using X-ray and neutron powder diffraction, and further characterized by magnetic and calorimetric measurements. The crystal structure of Na0.5Li0.5FeGe2O6 at 300 K is monoclinic C2/c (a=10.0333(1), b=8.8136(1), c=5.5295(9) Å, β=108.921(1)°). Calorimetric investigations indicate a displacive first order phase transition at T=271±1 K which is accompanied by the appearance of superstructure reflections in the X-ray patterns. At this transition Na0.5Li0.5FeGe2O6 undergoes a space group change from C2/c to P21/c (a=9.9692(3), b=8.8545(3), c=5.4752(2) Å, β=108.494(1)°). Magnetic order has been found below the Néel temperature TN≈18 K and has been refined from neutron diffraction. The quasi-low-dimensional magnetic spin system Na0.5Li0.5FeGe2O6 exhibits a collinear antiferromagnetic structure with the space group Pa21/c and the doubling of the unit cell along the crystallographic a-axis of the pyroxene crystal (propagation vector k=(1/2, 0, 0)). The critical modes which are responsible for the phase transition from C2/c to P21/c symmetry and for the magnetic transition from paramagnetic to antiferromagnetic state have been determined and their role in the transition is described. They are also the relevant mechanism driving the magnetic order in LiFeGe2O6.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Raevski I. P., Molokeev M. S., Misyul S. V., Eremin E. V., Blazhevich A. V., Kubrin S. P., Sarychev D. A., Titov V. V., Chen H., Chou, C. -C., Raevskaya S. I., Malitskaya M. A.
Заглавие : Studies of ferroelectric and magnetic phase transitions in multiferroic PbFe0.5Ta0.5O3
Коллективы : International Conference of Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials , Russian Foundation for Basic Research (RFBR) [12-08-00887_a, 14-02-90438_Ucr_a], Ministry of education and science of Russian Federation [2132, 2014/174], Southern Federal University [213.01-2014/012-VG], Research Committee of the University of Macau under Research & Development Grant for Chair Professor
Место публикации : Ferroelectrics: Taylor & Francis, 2015. - Vol. 475, Is. 1: Special Issue: Proceedings of International Conference of Piezoresponse Force Microscopy and Nanoscale Phenomena in Polar Materials (PFM-2014) Part I of III. - P.52-60. - ISSN 0015, DOI 10.1080/00150193.2015.995009. - ISSN 15635112(eISSN)
Примечания : Cited References:26. - This study is partially supported by the Russian Foundation for Basic Research (RFBR) project (projects 12-08-00887_a and 14-02-90438_Ucr_a), Ministry of education and science of Russian Federation (research project 2132, task 2014/174), Southern Federal University grant 213.01-2014/012-VG and Research Committee of the University of Macau under Research & Development Grant for Chair Professor.
Предметные рубрики: NEUTRON POWDER DIFFRACTION
Pb(Fe1/2Ta1/2)O-3
Ключевые слова (''Своб.индексиров.''): lead iron tantalate--multiferroic--ferroelectric--lattice parameters--phase transition
Аннотация: X-ray, magnetic, and Mossbauer studies of a PbFe0.5Ta0.5O3 powder have been carried out. For the first time temperature dependence of the unit cell parameters was obtained. Antiferromagnetic Neel temperature T-N approximate to 180K was determined using the results of Mossbauer studies. In the vicinity of T-N an anomaly in the temperature dependence of the monoclinic angle beta was revealed in PFT. This anomaly seems to be due to the magnetoelectric coupling.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Molokeev M. S., Laptash N. M., Udovenko A. A., Pogoreltsev E. I., Mel'nikova S. V., Misyul S. V.
Заглавие : Structural transformation between two cubic phases of (NH4)3SnF7
Место публикации : J. Fluor. Chem.: Elsevier, 2015. - Vol. 178. - P.86-92. - ISSN 0022-1139, DOI 10.1016/j.jfluchem.2015.06.024
Примечания : Cited References: 19. - We thank T.A. Kaidalova for the idea of doubling the unit cell parameter of (NH4)3SnF7 at room temperature. The reported study was partially supported by RFBR, research project No. 15-02-02009 a.
Предметные рубрики: CRYSTAL-STRUCTURE
TRANSITION
NH4F
Ключевые слова (''Своб.индексиров.''): cubic fluorides--phase transitions--x-ray--calorimetry--crystal optics
Аннотация: Reinvestigations of the room temperature structure of ammonium heptafluorostannate (NH4)3SnF7 = (NH4)2SnF6·NH4F = (NH4)3[SnF6]F by both powder and single crystal X-ray diffractions have revealed that its real symmetry is Pa−3 (Z = 8) instead of Pm−3m (Z = 1) suggested earlier. Polarizing optical observations, heat capacity, X-ray powder, and single crystal measurements were performed in a wide temperature range (100–420 K). A reversible structural phase transition of the first order between two cubic modifications Pa−3 ↔ Pm−3m was found at about T0 = 360 K. The structural models associated with partially disordered and totally ordered high and low temperature phases, respectively, comply with a large value of phase transition entropy.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Safonov I. N., Molokeev M. S., Misyul S. V., Sevrukov R. G.
Заглавие : Phenomenological Landau theory of the structural phase transitions in layered perovskites TlAlF4 type
Коллективы : International seminar on ferroelastic physics, Международный семинар по физике сегнетоэластиков, Российская академия наук, Воронежский государственный технический университет
Место публикации : The Eighth Int. Sem. on Ferroelastic Phys.: book of abstracts. - 2015. - P.20

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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Drokina T. V., Petrakovskii G. A., Molokeev M. S., Misyul S. V., Bondarev V. S., Velikanov D. A., Frontzek M., Schefer J.
Заглавие : Crystal and magnetic structures, phase transitions in quasi-onedimensional pyroxenes Na0.5Li 0.5FeGe2O6
Коллективы : International Workshop on Phase Transitions and Inhomogeneous States in Oxides, "Фазовые переходы и неоднородные состояния в оксидах", международный семинар
Место публикации : Int. Workshop on Phase Transit. and Inhomogeneous States in Oxides: book of abstracts. - Kazan, 2015. - P.54
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ivliev M. P., Misyul S. V., Molokeev M. S., Sakhnenko V. P.
Заглавие : Pseudo-proper ferroelectric phase transitions in oxyfluoride K3WO3F3
Место публикации : Phase Transit.: Taylor & Francis, 2014. - Vol. 87, Is. 6. - P.592-602. - ISSN 0141-1594, DOI 10.1080/01411594.2013.878026. - ISSN 1029-0338
Примечания : Cited References: 14. - This study was supported by the of the President of the Russian Federation for the Support of Leading Scientific Schools [Grant NSh-924.2014.2].
Предметные рубрики: TRANSFORMATIONS
(NH4)(3)MOO3F3
(NH4)(3)WO3F3
CS
Ключевые слова (''Своб.индексиров.''): phase transition--statistical mechanics--order-disorder--ferroelectric--transformations--(nh4)(3)moo3f3--(nh4)(3)wo3f3--cs
Аннотация: Based on the structural data on the phases of cryolite (ordered perovskite) K3WO3F3, we develop a statistical model, which allows to describe the sequence of phase transitions observed in this compound using a unified approach. According to the model, the crystal possesses two structural subsystems: the K cations located in the octahedral positions and the WO3F3 octahedra in positions alternating with K cations. In the symmetric (cubic) phase, each subsystem can be found in one of the eight states. At decreasing temperature, an orientational phase transition in the subsystem of octahedra occurs first, followed by a phase transition to the low-temperature phase, caused by the loss of stability with respect to the ordering in the K cation subsystem. We find that the electric polarization occurs as pseudoproper and discuss the mechanisms of formation of the phase states.
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