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    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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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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Studies of ferroelectric and magnetic phase transitions in multiferroic PbFe0.5B0.5O3-PbTiO3 (B-Nb, Ta) solid solution ceramics / I. P. Raevski [et al.] // International symposium "Physics and Mechanics of New Materials and Underwater Applications" : Abstracts and schedule. - 2013. - P. 38-39

Доп.точки доступа:
Raevski, I. P.; Kubrin, S. P.; Blazhevich, A. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Misjul, S. V.; Eremin, E. V.; Еремин, Евгений Владимирович; Chen, H.; Sitalo, E. I.; Raevskaya, S. I.; Titov, V. V.; Sarychev, D. A.; Malitskaya, M. A.; Zakharchenko, I. N.; "Physics and Mechanics of New Materials and Underwater Applications", International symposium (2013 ; Jun. ; 5-8 ; Kaohsiung, Taiwan)
}
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    Zamkova, N. G.
    First-principles calculations of ferroelectric properties in AA`BB`O6 double perovskites with different types of cation ordering / N. G. Zamkova, V. S. Zhandun, V. I. Zinenko // Phys. status solidi B. - 2013. - Vol. 250, Is. 9. - P. 1888-1897, DOI 10.1002/pssb.201349084 . - ISSN 0370-1972
   Перевод заглавия: Первопринципные расчеты сегнетоэлектрических свойств двойных перовскитов AA'BB'O6
Кл.слова (ненормированные):
Density functional theory -- Double perovskites -- Ferroelectrics -- Polarization
Аннотация: First-principles calculations of lattice dynamics and polarization properties have been performed for double perovskite ABiBNbO6 (A - alkali metal Na, Rb, and B - trivalent metal Sc, Lu). Three possible types of A- and B-site cation ordering are studied: layer and columnar ordering of A-site cations with rocksalt ordering of B-site cations, and layer ordering of both cations. The ground state of all compounds is polar with a large value of polarization for all types of cation ordering. For some compounds we obtain spontaneous polarization of 0.7-1.0Cm-2 that is twice the BaTiO3 value. For RbBiScNbO6 the lowest-energy state has layer ordering of both A- and B-site cations, which is rare for compounds with double-perovskite structure.

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Доп.точки доступа:
Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Замкова, Наталья Геннадьевна
}
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Caloric effects and phase transitions in ferroelectric-ferromagnetic composites (x) La0.7Pb0.3MnO3 – (1-x) PbTiO3 / E. Mikhaleva [et al.] // International Conference “Functional materials and nanotechnologies” FM&NT 2012. - 2012. - P. 82

Материалы конференции

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Kartashev, A. V.; Карташев, Андрей Васильевич; Gorev, M. V.; Горев, Михаил Васильевич; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Sablina, K. A.; Саблина, Клара Александровна; Mikhashenok, N. V.; Михашенок, Наталья Владимировна; Flerov, I. N.; Флёров, Игорь Николаевич; Functional Materials and Nanotechnologies(2012 ; Apr. ; 17-20 ; Riga, Latvia)
}
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Caloric effects and phase transitions in ferromagnetic-ferroelectric composites xLa(0.7)Pb(0.3)MnO(3)-(1-x)PbTiO3 / E. A. Mikhaleva [et al.] // J. Mater. Res. - 2013. - Vol. 28, Is. 24. - P. 3322-3331, DOI 10.1557/jmr.2013.360. - Cited References: 24. - This study was supported in parts by The Russian Foundation for Basic Research (Grant No. 12-02-31253-mol-a), Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" (N 8379), and Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools (Grant NO. NSh-4828.2012.2). Dr. Maxim S. Molokeev is acknowledged for the x-ray characterization of the samples. . - ISSN 0884-2914. - ISSN 2044-5326

РУБ Materials Science
Рубрики:
PRESSURE
TEMPERATURE
Аннотация: Ceramic volumetric composites xLa(0.7)Pb(0.3)MnO(3)-(1-x)PbTiO3 (x = 0.18 and 0.85) were prepared. X-ray investigations have shown that rather low sintering temperature (800 degrees C) has allowed us to avoid the reaction and interdiffusion between two initial phases. Heat capacity, thermal expansion, and intensive magnetocaloric effect were measured in a wide temperature range. The sample composition has a low influence on temperatures of the ferromagnetic and ferroelectric phase transitions in composites. Electro- and barocaloric effects were determined by analysis in the framework of thermodynamic theory, electric equation of state, Maxwell relationships, and entropy-temperature-pressure phase diagram. Multicaloric efficiency of composites is discussed and compared with that of initial La0.7Pb0.3MnO3 and PbTiO3 compounds. Variation of a relationship between components can significantly increase both barocaloric and magnetocaloric efficiency of compositional material due to the mechanical stress appearing between grains of different ferroic phases under magnetic field.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660079, Russia

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Flerov, I. N.; Флёров, Игорь Николаевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Gorev, M. V.; Горев, Михаил Васильевич; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Sablina, K. A.; Саблина, Клара Александровна; Mikhashenok, N. V.; Михашенок, Наталья Владимировна; Volkov, N. V.; Волков, Никита Валентинович; Shabanov, A. V.; Шабанов, Александр Васильевич; Russian Foundation for Basic Research [12-02-31253-mol-a]; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" [N 8379]; Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools [NSh-4828.2012.2]
}
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    Pseudo-proper ferroelectric phase transitions in oxyfluoride K3WO3F3 / M. P. Ivliev [и др.] // Phase Transit. - 2014. - Vol. 87, Is. 6. - P. 592-602, DOI 10.1080/01411594.2013.878026. - 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]. . - ISSN 0141-1594. - ISSN 1029-0338
   Перевод заглавия: "Псевдособственный" сегнетоэлектрический фазовый переход в оксифториде K3WO3F3
Рубрики:
TRANSFORMATIONS
   (NH4)(3)MOO3F3
   (NH4)(3)WO3F3
   CS
Кл.слова (ненормированные):
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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Держатели документа:
Southern Fed Univ, Inst Phys Res, Rostov Na Donu, Russia
Siberian Fed Univ, Inst Phys Engn & Radioelect, Krasnoyarsk, Russia
Siberian Dept RAS, Kirensky Inst Phys, Krasnoyarsk, Russia

Доп.точки доступа:
Ivliev, M. P.; Misyul, S. V.; Мисюль, Сергей Валентинович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sakhnenko, V. P.
}
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Caloric characteristics of PbTiO3 in the temperature range of the ferroelectric phase transition / E. A. Mikhaleva [et al.] // Phys. Solid State. - 2012. - Vol. 54, Is. 9. - P. 1832-1840, DOI 10.1134/S1063783412090181. - Cited References: 31. - This study was supported by the Russian Foundation for Basic Research (project no. 12-08-00079) 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-4828.2012.2). . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
SINGLE-CRYSTALS
   LEAD TITANATE
   DIELECTRIC PROPERTIES
   SOLID-SOLUTIONS
   PRESSURE
   PEROVSKITES
   DEPENDENCE
   BEHAVIOR
   HEAT
Аннотация: The heat capacity and thermal expansion of the PbTiO3 ceramic sample have been measured in the temperature range 80–970 K. The electrocaloric and barocaloric efficiencies of lead titanate in the ferroelectric phase transition range have been investigated by analyzing the experimental data in terms of the thermodynamic theory of phase transitions, the electrical equation of state P(T, E), the Pippard equation, and the S(T, p) diagram.

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Публикация на русском языке Калорические характеристики PbTiO3 в области сегнетоэлектрического фазового перехода [Текст] / Е. А. Михалева [и др.] // Физ. тверд. тела : Физико-технический институт им. А.Ф.Иоффе РАН, 2012. - Т. 54 Вып. 9. - С. 1719-1726

Держатели документа:
[Mikhaleva, E. A.
Flerov, I. N.
Gorev, M. V.] Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia
[Mikhaleva, E. A.
Flerov, I. N.
Gorev, M. V.
Molokeev, M. S.
Cherepakhin, A. V.
Kartashev, A. V.
Mikhashenok, N. V.
Sablina, K. A.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Kartashev, A. V.; Карташев, Андрей Васильевич; Mikhashenok, N. V.; Михашенок, Наталья Владимировна; Sablina, K. A.; Саблина, Клара Александровна
}
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Electrocaloric and barocaloric effects in some ferroelectric hydrosulfates and triglycinesulfate / E. A. Mikhaleva [et al.] // Ferroelectrics. - 2012. - Vol. 430. - P. 78-83, DOI 10.1080/00150193.2012.677717. - Cited References: 14. - This work was supported by the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools (project no, Nsh - 4645.2010.2). . - ISSN 0015-0193

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
AMMONIUM
RbHSO4
Кл.слова (ненормированные):
Ferroelectrics -- phase transitions -- electrocaloric and barocaloric effects
Аннотация: A comparative analysis of electrocaloric and barocaloric efficiency of order-disorder ferroelectrics Rbx(NH4)1-xHSO4 and TGS is performed. A good agreement was found between intensive electrocaloric effects measured experimentally and calculated using electric equation of state. Barocaloric effects were evaluated analyzing the experimental data on heat capacity and T-p phase diagrams. In some crystals under study the same adiabatic temperature change can be produced by low pressure and rather high electric field.

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Доп.точки доступа:
Mikhaleva, E. A.; Михалева, Екатерина Андреевна; Flerov, I. N.; Флёров, Игорь Николаевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Gorev, M. V.; Горев, Михаил Васильевич; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Davydova, T. N.; Давыдова, Тамара Николаевна; European Meeting on Ferroelectricity(12 ; 2011 ; 26 June - 1 July ; Bordeaux, France)
}
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10.

    Synthesis and spectroscopic properties of multiferroic β΄-Tb2(MoO4)3 / V. V. Atuchin [et al.] // Opt. Mater. - 2014. - Vol. 36, Is. 10. - P. 1631–1635, DOI 10.1016/j.optmat.2013.12.008. - Cited References: 43. - This study was partly supported by SB RAS under Projects 28.13 and 24.31, and by the PSB RAS Project No. 3.9.5b, and RFBR Projects . - ISSN 0925-3467. - ISSN 1873-1252
   Перевод заглавия: Синтез и спектроскопические свойства мультиферроика β'-Tb2(MoO4)3
Рубрики:
FERROELECTRIC-FERROELASTIC Tb2(MoO4)3
   STIMULATED RAMAN-SCATTERING
   TRANSITION-METAL MOLYBDATES
   RARE-EARTH MOLYBDATES
   CRYSTAL-STRUCTURE
   VIBRATIONAL PROPERTIES
   LUMINESCENCE PROPERTIES
   Tb-2(MoO4)3 CRYSTALS
   TERBIUM MOLYBDATE
   PHASE-TRANSITIONS
Кл.слова (ненормированные):
Terbium molybdate -- Raman spectrum -- Optical properties
Аннотация: Orthorhombic terbium molybdate, β΄-Tb2(MoO4)3, microcrystals have been fabricated by solid state synthesis at T = 750-1270 K for t = 290 h. The crystal structure β΄-Tb2(MoO4)3 has been refined by Rietveld method in space group Pba2 with cell parameters of a = 10.35387(6), b = 10.38413(6) and c = 10.65695(7) A (RB = 1.83%). About 40 narrow Raman lines have been observed in the Raman spectrum recorded for the β΄-Tb2(MoO4)3 powder sample. The luminescence spectrum of β΄-Tb2(MoO4)3 has been measured under the excitation at 355 nm, and the intensive photoluminescence band at 540-550 nm has been found. В© 2013 Elsevier Ltd. All rights reserved.

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Доп.точки доступа:
Grinberg, M. \ed.\; Bojarski, P. \ed.\; Suchocki, A. \ed.\; Atuchin, V. V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Chimitova, O. D.; Krylov, A. S.; Крылов, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, B. G.; Bazarova, J. G.; Xia, Zhiguo; International Workshop on Advanced Spectroscopy and Optical Materials (4th ; 14–19 July 2013 ; Gdańsk, Poland)
}
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