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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Zhandun V. S., Zinenko V. I.
Заглавие : First-principles calculations of ferroelectric properties in AA`BB`O6 double perovskites with different types of cation ordering
Место публикации : Phys. status solidi B. - 2013. - Vol. 250, Is. 9. - P.1888-1897. - ISSN 0370-1972, DOI 10.1002/pssb.201349084
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhaleva E. A., Flerov I. N., Gorev M. V., Molokeev M. S., Cherepakhin A. V., Kartashev A. V., Mikhashenok N. V., Sablina K. A.
Заглавие : Caloric characteristics of PbTiO3 in the temperature range of the ferroelectric phase transition
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 54, Is. 9. - P.1832-1840. - ISSN 1063-7834, DOI 10.1134/S1063783412090181
Примечания : 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).
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Edelman I. S., Greben'kova Yu. E., Sokolov A. E., Molokeev M. S., Aleksandrovsky A. S., Chichkov V. I., Andreev N. V., Mukovskii Y.
Заглавие : Visible magnetic circular dichroism spectroscopy of the Pr0.8Sr0.2MnO3 and Pr0.6Sr0.4MnO3 thin films
Место публикации : AIP Adv.: American Institute of Physics, 2014. - Vol. 4, Is. 5. - Ст.057125. - ISSN 2158-3226, DOI 10.1063/1.4879818
Примечания : 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
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Zamkova N. G., Zhandun V. S., Pavlovskii M. S.
Заглавие : Ferroelectric and structural instability in double perovskites Me1+Bi3+Me3+Nb5+O6 (Me1+ = Na, K, Rb; Me3+ = Sc, Ga, In, Lu)
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 6. - P.955-962. - ISSN 1063-7761, DOI 10.1134/S1063776112040188
Примечания : 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).
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vereshchagin S. N., Solovyov L. A., Rabchevskii E. V., Dudnikov V. A., Ovchinnikov S. G., Anshits A. G.
Заглавие : Methane oxidation over A-site ordered and disordered Sr0.8Gd0.2CoO3−δ perovskites
Коллективы : SB RAS project [38]; RFBR [13-02-00358]
Место публикации : Chem. Commun.: Royal Society of Chemistry, 2014. - Vol. 50, Is. 46. - P.6112-6115. - ISSN 1359-7345, DOI 10.1039/c4cc00913d. - ISSN 1364-548X
Примечания : Cited References: 20. - The authors acknowledge the financial support from SB RAS project N 38 (2012) and RFBR grant 13-02-00358.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Flerov I. N., Gorev M. V., Aleksandrov K. S., Tressaud A., Fokina V. D.
Заглавие : Ferroelastic phase transitions in fluorides with cryolite and elpasolite structures
Место публикации : Crystallogr. Rep. - 2004. - Vol. 49, Is. 1. - P.100-107. - ISSN 1063-7745, DOI 10.1134/1.1643969
Примечания : Cited References: 43
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Bartolome J.
Заглавие : Structural distortions in families of perovskite-like crystals
Место публикации : Phase Transit.: TAYLOR & FRANCIS LTD, 2001. - Vol. 74, Is. 3. - P.255-335. - ISSN 0141-1594, DOI 10.1080/01411590108228754
Примечания : Cited References: 262
Предметные рубрики: LOW-TEMPERATURE PHASE
INELASTIC-NEUTRON-SCATTERING
POWDER PROFILE REFINEMENT
MII = CO
X-RAY
RAMAN-SCATTERING
ORDERED PEROVSKITE
RHOMBOHEDRAL PEROVSKITES
RB2KMIIIF6 ELPASOLITES
MAGNETIC-PROPERTIES
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Bartolome J., Gorev M. V., Flerov I. N.
Заглавие : Hydrostatic pressure effect on phase transitions in perovskites with ammonium cations
Место публикации : Phys. Status Solidi B. - 2000. - Vol. 217, Is. 2. - P.785-791. - ISSN 0370-1972, DOI 10.1002/(SICI)1521-3951(200002)217:2785::AID-PSSB7853.0.CO;2-Y
Примечания : Cited References: 36
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Aleksandrov K. S., Beznosikov B. V.
Заглавие : Architecture and properties of perovskite-like crystals
Коллективы : USA-CIS-Baltic Seminar on Ferroelectricity
Место публикации : Ferroelectrics: Gordon Breach Sci Publ Ltd, 1999. - Vol. 226, Is. 1-4. - P.1-9. - ISSN 0015-0193, DOI 10.1080/00150199908230285
Примечания : Cited References: 9
Ключевые слова (''Своб.индексиров.''): 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Melnikova S. V., Anistratov A. T., Aleksandrov K. S.
Заглавие : Birefringes and structure phase-transitions in ABCl3 perovskites
Место публикации : Fiz. Tverd. Tela: Mezhdunarodnaya kniga, 1981. - Vol. 23, Is. 1. - P.246-250. - ISSN 0367-3294
Примечания : Cited References: 16
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