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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 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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Visible magnetic circular dichroism spectroscopy of the Pr0.8Sr0.2MnO3 and Pr0.6Sr0.4MnO3 thin films / I. S. Edelman [et al.] // AIP Adv. - 2014. - Vol. 4, Is. 5. - Ст. 057125, DOI 10.1063/1.4879818. - Cited References: 30. - The work was supported partly by the Russian Foundation for Basic Researches, grant No’s 14-02-01211, 12-02-00717-a and Grant of the Russian President No Sh-2886.2014.2 . - ISSN 2158-3226

РУБ Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
MANGANITES
   LA1-XSRXMNO3
   PEROVSKITES
   SPECTRA
Аннотация: Visiblemagnetic circular dichroism (MCD) in Pr1-xSrxMnO3 with x=0.2 and 0.4was investigated for the first time. Samples for the investigation – polycrystalline films with thickness from 20 to 150 nm were prepared with the dc magnetron sputtering. MCD spectra obtained in the energy interval 1–4 eV at temperatures 100–300 K consist of several maxima with different intensities: very strong one near 3.25–3.4 eV and a broad essentially weaker band near 2 eV. An additional maximum of opposite sign arises in the samples with x = 0.4MCD spectrum at 2.33 eV. Experimental spectra were decomposed to several Gaussian components, and their amplitudes temperature dependences were analyzed. In the case of x = 0.2, all four Gaussian components are characterized by the identical temperature dependence of their amplitudes. In the case of x = 0.4, maxima observed in different spectral intervals demonstrate different temperature dependences of their amplitudes. One more unexpected phenomenon is associated with the different MCD value change in different spectral intervals when coming from x = 0.2 to x = 0.4: high-energy maximum increases more than twice while low-energy maxima intensity stays at that, practically, unchanged.

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Держатели документа:
LV Kirensky Inst Phys SB RAS, Krasnoyarsk 660036, Russia
Natl Univ Sci & Technol MISiS, Moscow 119049, Russia

Доп.точки доступа:
Edelman, I. S.; Эдельман, Ирина Самсоновна; Greben'kova, Yu. E.; Гребенькова, Юлия Эрнестовна; Sokolov, A. E.; Соколов, Алексей Эдуардович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Chichkov, V. I.; Andreev, N. V.; Mukovskii, Y.
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Ferroelectric and structural instability in double perovskites Me1+Bi3+Me3+Nb5+O6 (Me1+ = Na, K, Rb; Me3+ = Sc, Ga, In, Lu) / V. I. Zinenko [et al.] // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 6. - P. 955-962, DOI 10.1134/S1063776112040188. - Cited References: 7. - This work was supported by the Russian Foundation for Basic Research (project no. 09-02-00067) and by the program for the support of leading scientific schools (project no. NSh-4645.2010.2). . - ISSN 1063-7761

РУБ Physics, Multidisciplinary

Аннотация: Within the Gordon-Kim generalized model with regard to the polarizabilities of ions, the lattice constants, the high-frequency permittivity, the Born dynamic charges, and the vibration constants of the crystal lattice are calculated for cation-ordered double perovskites Me1+Bi3+Me3+Nb5+O6. The vibration spectra of all the compounds exhibit two types of instabilities: instability associated with the rotation of the oxygen octahedron and ferroelectric instability. Various combinations of distortions with respect to the rotation mode yield five energetically most favorable distorted phases. The symmetry and the energy characteristics of these phases are discussed. In four of the five phases, the distortions associated with the oxygen octahedron rotation lead to polar phases, thus allowing one to speak of improper ferroelectricity in these compounds. One phase turns out to be nonpolar; however, it contains unstable polar modes such that a displacement along the eigenvectors of these modes gives rise to polarization in the crystal.

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Публикация на русском языке Сегнетоэлектрическая и структурная неустойчивости в двойных перовскитах Me1+Bi3+Me3+Nb5+O6 (Me1+ = Na, K, Rb; Me3+ = Sc, Ga, In, Lu) [Текст] / В. И. Зиненко [и др.] // Ж. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 6. - С. 1093-1101

Держатели документа:
[Zinenko, V. I.
Zamkova, N. G.
Zhandun, V. S.
Pavlovskii, M. S.] Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Pavlovskii, M. S.; Павловский, Максим Сергеевич
}
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Methane oxidation over A-site ordered and disordered Sr0.8Gd0.2CoO3−δ perovskites / S. N. Vereshchagin [et al.] // Chem. Commun. - 2014. - Vol. 50, Is. 46. - P. 6112-6115, DOI 10.1039/c4cc00913d. - Cited References: 20. - The authors acknowledge the financial support from SB RAS project N 38 (2012) and RFBR grant 13-02-00358. . - ISSN 1359-7345. - ISSN 1364-548X

РУБ Chemistry, Multidisciplinary
Рубрики:
MEMBRANE REACTORS
   OXYGEN
   OXIDES
   PERFORMANCE
   COMBUSTION
   FEATURES
   PHASES
Аннотация: A tetragonal phase Sr0.8Gd0.2CoO3−δ with ordered Gd3+/Sr2+ ions and oxygen vacancy sites is found to be about five times less active in the reaction of methane combustion than a quenched cubic perovskite phase with randomly distributed (disordered) Gd3+/Sr2+ ions over the A-sites of the crystal lattice.

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Держатели документа:
Russian Acad Sci, Inst Chem & Chem Technol, Siberian Branch, Krasnoyarsk 660036, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Vereshchagin, S. N.; Solovyov, L. A.; Соловьев, Леонид Александрович; Rabchevskii, E. V.; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Anshits, A. G.; Аншиц, Александр Георгиевич; SB RAS project [38]; RFBR [13-02-00358]
}
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    Ferroelastic phase transitions in fluorides with cryolite and elpasolite structures / I. N. Flerov [et al.] // Crystallogr. Rep. - 2004. - Vol. 49, Is. 1. - P. 100-107, DOI 10.1134/1.1643969. - Cited References: 43 . - ISSN 1063-7745
Рубрики:
NUCLEAR MAGNETIC-RESONANCE
   THERMODYNAMIC PROPERTIES
   RB2KMIIIF6 ELPASOLITES
   NEUTRON-DIFFRACTION
   CRYSTALS
   PEROVSKITES
   DIAGRAM
   SC
   RB2KGAXSC1-XF6
   SCATTERING
Аннотация: The ferroelastic phase transitions are investigated in several series of fluoride crystals belonging to the elpasolite and cryolite families (space group Fm (3) over barm) with the general formula A(2)BB'F-6. The influence of the size and shape of cations and anions on the entropy and the mechanism of structural distortions is discussed. (C) 2004 MAIK "Nauka/Interperiodica".

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Публикация на русском языке Сегнетоэластические фазовые переходы во фторидах со структурой криолита и эльпасолита [Текст] / И. Н. Флеров [и др.] // Кристаллография. - 2004. - Т. 49 Вып. 1. - С. 107-114

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Inst Chim Mat Condensee Bordeaux, F-33608 Pessac, France
ИФ СО РАН

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Tressaud, A.; Fokina, V. D.; Фокина, Валентина Дмитриевна
}
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Aleksandrov, K. S.
Structural distortions in families of perovskite-like crystals / K. S. Aleksandrov, J. . Bartolome // Phase Transit. - 2001. - Vol. 74, Is. 3. - P. 255-335, DOI 10.1080/01411590108228754. - Cited References: 262 . - ISSN 0141-1594

РУБ Crystallography + Physics, Condensed Matter
Рубрики:
LOW-TEMPERATURE PHASE
   INELASTIC-NEUTRON-SCATTERING
   POWDER PROFILE REFINEMENT
   MII = CO
   X-RAY
   RAMAN-SCATTERING
   ORDERED PEROVSKITE
   RHOMBOHEDRAL PEROVSKITES
   RB2KMIIIF6 ELPASOLITES
   MAGNETIC-PROPERTIES
Кл.слова (ненормированные):
structural phase transitions -- perovskites -- perovskite-like crystals -- group theoretical classification
Аннотация: The crystallographic and group theoretical analysis of the structural phase transitions in perovskite and perovskite-like crystals is reviewed. We include ABX(3) perovskites and their relative crystals of ReO3 type (G(0) = O-h(1)), elpasolites, cryolites and their relatives (G(0) = O-h(5)) layered crystals of TIAIF(4) series (G(0) = D-4h(1)), Aurivillius and Ruddlesden-Popper series (G(0) = D-4h(17)). The structures in their initial phase G(0) often contain n layers (n = 1, 2,3) of vertex linked octahedra. The distorted phases produced by one kind of tilt and by superposition of tilts in the slabs are enumerated. Most of the tilts correspond to symmetry changes, which can be associated to definite librational lattice modes irreducible representations of the G(0) group. The softening of modes associated to the PT has been found experimentally in many perovskites, elpasolites and layered crystals with n = 1. In contrast, no such soft modes have been found yet for even-layered (n = 2) crystals. Examples of successive phase transitions due to the superposition of tilts in these types of crystals have been collected.

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Держатели документа:
LV Kirenskii Inst Phys, Siberian Branch, Russian Acad Sci, Krasnoyarsk 660036, Russia
Univ Zaragoza, CSIC, Inst Ciencias Mat Aragon, Zaragoza, Spain
ИФ СО РАН

Доп.точки доступа:
Bartolome, J.; Александров, Кирилл Сергеевич
}
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Hydrostatic pressure effect on phase transitions in perovskites with ammonium cations / K. S. Aleksandrov [et al.] // Phys. Status Solidi B. - 2000. - Vol. 217, Is. 2. - P. 785-791, DOI 10.1002/(SICI)1521-3951(200002)217:2785::AID-PSSB7853.0.CO;2-Y. - Cited References: 36 . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
XMF3 CUBIC PEROVSKITES
   THERMAL-PROPERTIES
   HEAT-CAPACITY
   TEMPERATURE DEPENDENCE
   DIELECTRIC PROPERTIES
   X-RAY
   NH4ZNF3
   NH4MNCL3
   NH4COF3
   NH4CDF3
Аннотация: The pressure dependence of the structural phase transition temperature has been measured for the powder samples of NH4MgF3, NH4ZnF3, NH4MnF3, NH4CoF3, NH4CdF3, and NH4MnCl3 perovskites in the pressure range 0 to 600 MPa. It was found that the values of dT(0)/dP are negative for the Mg, Zn. Co. Mn trifluorides and positive for NH4CdF3 and NH4MnCl3. Comparison with the known data for other halide and oxide perovskites allowed to conclude that the sign of dT(0)/dP is correlated with the value of the Goldschmidt tolerance factor of the perovskite, and its value is closely related to the temperature and mechanism of the transition.

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Держатели документа:
Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, Zaragoza 50009, Spain
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Bartolome, J.; Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич
}
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Aleksandrov, K. S.
Architecture and properties of perovskite-like crystals / K. S. Aleksandrov, B. V. Beznosikov // Ferroelectrics. - 1999. - Vol. 226, Is. 1-4. - P. 1-9, DOI 10.1080/00150199908230285. - Cited References: 9 . - ISSN 0015-0193

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter

Кл.слова (ненормированные):
perovskites -- perovskite-like crystals -- new representatives of Ruddlesden-Popper's phases -- New representatives of Ruddlesden-Popper's phases -- Perovskite-like crystals -- Perovskites
Аннотация: A variety of the known structures of perovskite-like crystals including cation- and anion-deficient phases were considered as the intergrowth systems of slabs containing n-layers (n = 1,2, 3,...infinity) of corner-linked octahedra BX6, pyramids EX5 or square-planar nets BX4 (B-cation, X- anion) linked by intermediate blocks of different types.([1- 3]) Some new structural types and new representatives of ferroelectrics, ferroelastics and HTSC's can be constructed on this basis. The prognosis of new possible representatives in Ruddlesden-Popper's family is discussed.
A variety of the known structures of perovskite-like crystals including cation- and anion-deficient phases were considered as the intergrowth systems of slabs containing n-layers (n = 1, 2, 3, . . . ?) of corner-linked octahedra BX6, pyramids BX5 or square-planar nets BX4 (B-cation, X-anion) linked by intermediate blocks of different types.[1-3] Some new structural types and new representatives of ferroelectrics, ferroelastics and HTSC's can be constructed on this basis. The prognosis of new possible representatives in Ruddlesden-Popper's family is discussed.

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Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Александров, Кирилл Сергеевич; USA-CIS-Baltic Seminar on Ferroelectricity(3 ; Jun 01-06, 1997 ; Bozeman, Montana)
}
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10.

Melnikova, S. V.
Birefringes and structure phase-transitions in ABCl3 perovskites / S. V. Melnikova, A. T. Anistratov, K. S. Aleksandrov // Fiz. Tverd. Tela. - 1981. - Vol. 23, Is. 1. - P. 246-250. - Cited References: 16 . - ISSN 0367-3294

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Публикация на русском языке Мельникова, Светлана Владимировна. Двупреломление и структурные фазовые переходы в ABCl3 перовскитах [Текст] / С. В. Мельникова, А. Т. Анистратов, К. С. Александров // Физ. тверд. тела. - 1981. - Т. 23 Вып. 1. - С. 246-249

Доп.точки доступа:
Anistratov, A. T.; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Мельникова, Светлана Владимировна
}
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11.

Phase transitions in elpasolites (ordered perovskites) / I. N. Flerov [et al.] // Materials Science and Engineering R: Reports. - 1998. - Vol. 24, Is. 3. - P. 81-151. - Cited References: 174 . - ISSN 0927-796X

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
ELASTIC NEUTRON-DIFFRACTION
   MII = CO
   RAMAN-SCATTERING
   THERMODYNAMIC PROPERTIES
   CRYSTAL-STRUCTURE
   SINGLE-CRYSTALS
   RB2KMIIIF6 ELPASOLITES
   CUBIC PEROVSKITES
   TEMPERATURE FORM
   HIGH-RESOLUTION
Кл.слова (ненормированные):
Crystal atomic structure -- Crystal growth -- Crystal lattices -- Crystallization -- Crystallography -- Ferroelectricity -- Hydrostatic pressure -- Order disorder transitions -- Single crystals -- Thermodynamics -- Elpasolites -- Landau theory -- Perovskite
Аннотация: Many compounds with general chemical formula A2BB?X6 and with tolerance factor value t < 1 crystallize in the elpasolite (ordered perovskite) structure. Different preparative methods have been considered. For example, the Bridgman technique is the most suitable method of growing single crystals of halogenated elpasolites with monoatomic cations. Group-theory and symmetry analyses have allowed us to build a scheme of possible structural distortions connected with octahedral rotations and displacements of ions. Experimental observations have proven that ferroelastic phase transitions occurring most frequently in elpasolites are due to small octahedra tilts. Quantitative analysis allows the possibility of describing these transitions in the framework of the thermodynamic Landau theory. Hydrostatic pressure and the substitution of atoms in different crystallographic sites allow to change significantly the succession and the temperature of phase transitions. The hypothesis of bond stresses is able to predict the possible occurrence of a phase transition for a particular elpasolite and/or the role of the octahedra rotations in the transformation. The mechanism of phase transitions in elpasolites and related compounds has also been considered. One can assume that a displacive mechanism associated with a strong anharmonicity plays a large role in phase transitions occurring in compounds with monoatomic cations. On the other hand, for instance, in cryolites with ammonium cations, the transitions originate from an order-disorder phenomenon. В© 1998 Elsevier Science S.A. All rights reserved.

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Держатели документа:
L.V. Kirensky Institute of Physics, Krasnoyarsk 660036, Russian Federation
Inst. Chim. Matiere Cond. B., Universite Bordeaux I, 33608, Pessac Cedex, France
Lab. de Phys.-Chim. Molec., Universite Bordeaux I, 33405, Talence Cedex, France

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Tressaud, A.; Grannec, J.; Couzi, M.
}
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12.

Zhandun, V. S.
Effect of an Eu3+ impurity on the antiferrodistortion and ferroelectric instabilities in an EuTiO3 bulk crystal and thin films / V. S. Zhandun, N. G. Zamkova, V. I. Zinenko // J. Exp. Theor. Phys. - 2015. - Vol. 120, Is. 1. - P. 103-109, DOI 10.1134/S1063776115010070. - Cited References:21. - This work was supported by the Russian Foundation for Basic Research (project no. 12-02-00025-a) and the program Leading Scientific Schools of the President of the Russian Federation (project no. NSh-924.2014.2). . - ISSN 1063. - ISSN 1090-6509. -

РУБ Physics, Multidisciplinary
Рубрики:
PEROVSKITES
Аннотация: The existence of an antiferrodistortion transition in EuTiO3 is disputable, and this question needs to be answered. One of the possible causes is the presence of an Eu3+ impurity in a sample. A nonempirical polarizable ion model is used to study the effect of a trivalent Eu3+ ion impurity on the antiferrodistortion and ferroelectric instabilities of an EuTiO3 crystal in the bulk and the thin-film states. Lattice dynamics calculation shows that a bulk impurity-free EuTiO3 crystal has no unstable modes throughout the entire phase space volume. The addition of an Eu3+ impurity leads to a significant softening of the rotational mode, the distortion in which makes tetragonal phase I4/mcm (which is experimentally observed) energetically favorable. In going from the bulk crystal to the thin film, the vibration spectrum of the impurity-free film has unstable antiferrodistortion and rotational modes. The addition of an Eu3+ impurity enhances the antiferrodistortion instability, which fully or partly suppresses ferroelectricity.

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Публикация на русском языке Жандун, Вячеслав Сергеевич. Влияние примеси Eu3+ на антиферродисторсионную и сегнетоэлектрическую неустойчивости в объемном кристалле и тонких пленках EuTiO3 [Текст] / В. С. Жандун, Н. Г. Замкова, В. И. Зиненко // J. Exp. Theor. Phys. : Наука, 2015. - Т. 147 Вып. 1. - С. 119-126

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zinenko, V. I.; Зиненко, Виктор Иванович; Жандун, Вячеслав Сергеевич; Russian Foundation for Basic Research [12-02-00025-a]; Russian Federation [NSh-924.2014.2]
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13.

Zhandun, V. S.
Ab initio investigation of the magnetic and ferroelectric properties of double perovskites LaPbMeSbO6 (Me = Mn, Fe, Co, Ni) / V. S. Zhandun, V. I. Zinenko // Phys. Solid State. - 2015. - Vol. 57, Is. 5. - P. 983-991, DOI 10.1134/S1063783415050340. - Cited References:19. - This study was supported by the Russian Foundation for Basic Research (project no. 12-02-00025-a) and the Council on Grants from the President of the Russian Federation in Support of the Leading Scientific Schools (grant no. NSh-924-2014.2). Calculations were performed on supercomputers of the National Research Centre "Kurchatov Institute" (Moscow, Russia). . - ISSN 1063. - ISSN 1090-6460. -

РУБ Physics, Condensed Matter

Аннотация: The results of ab initio calculations of the ferroelectric and magnetic properties of the recently synthesized double perovskites LaPbMeSbO6 (Me (2+) = Mn2+, Fe2+, Co2+, Ni2+) have been presented. The ordered double perovskites with a layered ordering of cations A and A' and a checkerboard ordering of cations B and B' have been considered. The calculation of the lattice dynamics has revealed instabilities in the phonon spectra of the high-symmetry phase of these compounds. The condensation of unstable modes leads to a stable polar phase P2(1). The spontaneous polarization in this phase is found to be 30 mu C/cm(2). The magnetic ground state is antiferromagnetic with an antiparallel direction of the magnetic moments in adjacent planes along the [001] direction. The N,el temperatures are estimated in the mean field approximation. The presence of the ferroelectric and magnetic order parameters in the structure suggests that the studied double perovskites with the simultaneous ordering of the cations are potential multiferroics.

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Публикация на русском языке Жандун, Вячеслав Сергеевич. Ab initio исследование магнитных и сегнетоэлектрических свойств двойных перовскитов LaPbMeSbO6 (Me=Mn, Fe, Co, Ni) [Текст] / В. С. Жандун, В. И. Зиненко // Физ. тверд. тела : Физико-технический институт им. А. Ф. Иоффе РАН, 2015. - Т. 57 Вып. 5. - С. 970-977

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Жандун, Вячеслав Сергеевич; Russian Foundation for Basic Research [12-02-00025-a]; Russian Federation [NSh-924-2014.2]
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14.

Aleksandrov, K. S.
The sequences of structural phase transitions in perovskites / K. S. Aleksandrov // Ferroelectrics. - 1976. - Vol. 14, Is. 1. - P. 801-805DOI 10.1080/00150197608237799
Аннотация: A classification of the octahedral tilt systems in perovskites is given, based on the work of Glazer1 but extending it and using a new notation; this leads to a simple description of the sequences of phase transitions, and shows how they are related to the soft modes M3 and R25. Examples from the literature are discussed.

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Доп.точки доступа:
Александров, Кирилл Сергеевич
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15.

Aleksandrov, K. S.
Successive phase transitions in perovskites. II. Structures of distorted phases / K. S. Aleksandrov // Ferroelectrics. - 1976. - Vol. 12, Spesial issue. - P. 197-198DOI 10.1080/00150197608241424
Аннотация: Estimation of atomic displacements from the unit cell distortions is discussed for the perovskites having successive structural phase transitions. The distorted structures of CsPbCl3 and CsSrCl3 are proposed.

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Доп.точки доступа:
Beznosikov, B. V.; Безносиков, Борис Валерьевич; Posdnjakova, L. A.; Александров, Кирилл Сергеевич; European meeting on ferroelectricity(3 ; 1976 ; Sept. 22-26 ; Zurich)
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16.

Phenomenological Landau theory of the structural phase transitions in layered perovskites TlAlF4 type / I. N. Safonov [et al.] // The Eighth Int. Sem. on Ferroelastic Phys. : book of abstracts. - 2015. - P. 20

Доп.точки доступа:
Safonov, I. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Misyul, S. V.; Sevrukov, R. G.; Севрюков Р. Г.; International seminar on ferroelastic physics(8 ; 2015 ; sept. ; 14-16 ; Voronezh); Международный семинар по физике сегнетоэластиков(8(13) ; 2015 ; сент. ; 13-16 ; Воронеж); Российская академия наук; Воронежский государственный технический университет
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17.

Oxidative conversion of methane over Gd-Sr-Co-perovskites: structure-activity relationship / S. N. Vereshchagin [et al.] // 12th Eur. Congress on Catalysis (EuropaCat-XII) : [proceedings]. - 2015. - Библиогр.: 4
Кл.слова (ненормированные):
methane -- oxidation -- OCM -- perovskite -- crystal structure

Материалы конгресса

Доп.точки доступа:
Vereshchagin, S. N.; Solovyov, L. A.; Соловьев, Леонид Александрович; Shishkina, N. N.; Шишкина, Нина Николаевна; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Anshits, A. G.; Аншиц, Александр Георгиевич; European Congress on Catalysis "Catalysis: Balancing the use of fossil and renewable resources”(12 ; 30 Aug. - 4 Sept., 2015 ; Kazan, Russia)
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18.

    Phases of anionic ordering in elpasolite structures (Ordered perovskites) / R. G. Sevryukov [et al.] // J. Sib. Fed. Univ. Math. Phys. - 2016. - Vol. 9, Is. 1. - P. 108-118 ; Журн. СФУ. Сер. "Математика и физика", DOI 10.17516/1997-1397-2016-9-1-108-118. - 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) . - ISSN 1997-1397
   Перевод заглавия: Фазы анионного упорядочения в структуре эльпасолита (упорядоченного перовскита)
Кл.слова (ненормированные):
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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Держатели документа:
Siberian Federal University, Svobodny, 79, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics SB RAS, Akademgorodok, 50/38, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Serysheva, 47, Khabarovsk, Russian Federation

Доп.точки доступа:
Sevryukov, R. G.; Севрюков, Р. Г.; Safonov, I. N.; Сафонов, И. Н.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Misyul, S. V.; Мисюль, С. В.

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19.

    Ferroelastic and ferroelectric phase transitions in fluoro- and oxyfluorometallates / I. N. Flerov [и др.] // Photonic and electronic properties of fluoride materials : Elsevier, 2016. - Chapter 16. - P. 355-381. - (Progress in fluorine science series), DOI 10.1016/B978-0-12-801639-8.00016-7. - Cited References: 92. - The reported study was partially supported by RFBR, research project No. 15-02-02009 a
   Перевод заглавия: Сегнетоэластические и сегнетоэлектрические фазовые переходы во фтор- и оксифторидметаллатах

РУБ Chemistry, Organic + Chemistry, Physical
Рубрики:
ELASTIC NEUTRON-DIFFRACTION
   ORIENTATIONAL DISORDER
   CRYSTAL-STRUCTURES
   THERMODYNAMIC PROPERTIES
   NONCRITICAL PARAMETERS
   CUBIC PEROVSKITES
   RAMAN-SCATTERING
   SINGLE-CRYSTALS
   A2BX4 STRUCTURE
   HIGH-RESOLUTION
Аннотация: Different degree of structural disorder is one of the main features of many fluoro- and oxyfluorometallates crystallizing in high symmetry structures. The comprehensive study of these compounds (perovskites, elpasolites, pyrochlores, etc.) enabled to determine a great effect of the size and shape as well as crystallographic sites of cationic and anionic species on the mechanism of structural ordering. Ferroelastic and ferroelectric phase transitions of different order, type, and succession can be realized as a result of chemical and hydrostatic pressure change. It was found that the substitution of monoatomic cations for tetrahedral ammonium group was accompanied by rather significant change of electron density distribution, entropy, and phase diagrams. Some compounds studied were considered to be promising solid-state refrigerants owing to the pronounced barocaloric effect resulting from large entropy and baric coefficient of phase transitions.

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Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Laptash, N. M.
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20.

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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