Библиотека института физики им. Л.В. Киренского СО РАН

Главная

Базы данных

Труды сотрудников ИФ СО РАН - результаты поиска

Вид поиска

Каталог книг и брошюр библиотеки ИФ СО РАН

Каталог журналов библиотеки ИФ СО РАН

Труды сотрудников ИФ СО РАН

Область поиска

в найденном

Найдено в других БД:

Каталог книг и брошюр библиотеки ИФ СО РАН (2)

Каталог журналов библиотеки ИФ СО РАН (1)

Формат представления найденных документов:
полный	информационный	краткий

Отсортировать найденные документы по:
автору	заглавию	году издания	типу документа

Поисковый запрос: (<.>K=Perovskites<.>)

Общее количество найденных документов : 61
Показаны документы с 1 по 10

1-10 11-20 21-30 31-40 41-50 51-61

Zinenko, V. I.
Theory of an Fm3m - I4/m structural phase transition in an Rb2KScF6 crystal / V. I. Zinenko, N. G. Zamkova // J. Exp. Theor. Phys. - 2000. - Vol. 91, Is. 2. - P. 314-323, DOI 10.1134/1.1311990. - Cited References: 16 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
FIRST-PRINCIPLES THEORY
   LATTICE-DYNAMICS
   PEROVSKITES
   ELPASOLITES
Аннотация: An Rb2KScF6 crystal having an elpasolite structure undergoes a sequence of Fm3m -- I4/m -- P12(1)/n1 structural phase transitions where the transition to the tetragonal phase is associated with "rotation" of the ScF6 octahedron. An effective Hamiltonian is constructed to describe the Fm3m -- I4/m transition using the approximation of a local mode for which we selected a "soft mode" whose eigenvector corresponds to the rotation of the octahedron. The effective Hamiltonian also includes the relationship between the local mode and the homogeneous elastic strains. The parameters of the effective Hamiltonian were determined using the generalized Gordon-Kim model of an ionic crystal which allows for the deformability and polarizability of the ions. The thermodynamic properties of a system with this model Hamiltonian were investigated using the Monte Carlo method. The calculated phase transition temperature of 250 K is almost the same as the experimental value (252 K). The tetragonal phase remains stable as far as T = 0 K and a second transition (to the monoclinic phase) cannot be obtained using this effective Hamiltonian. This suggests that if the transition to the tetragonal phase is mainly associated with "rotations" of the octahedrons, in order to describe the phase transition to the monoclinic phase the effective Hamiltonian must allow for additional degrees of freedom mainly associated with the motion of rubidium ions. (C) 2000 MAIK "Nauka/Interperiodica".

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Зиненко, Виктор Иванович
}
Найти похожие

Zinenko, V. I.
Lattice dynamics and the phase transition from the cubic phase to the tetragonal phase in the LaMnO3 crystal within the polarizable-ion model / V. I. Zinenko, M. S. Pavlovskii // Phys. Solid State. - 2007. - Vol. 49, Is. 9. - P. 1749-1758, DOI 10.1134/S1063783407090235. - Cited References: 23 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
NEUTRON-DIFFRACTION
   PEROVSKITES
   MANGANITES
   PHONONS
Аннотация: The paper reports on the results of ab initio calculations of the static and dynamic properties of the LaMnO3 crystal with a perovskite structure in the cubic, rhombohedral, and orthorhombic phases. The calculations are performed within the ionic crystal model, which takes into account the deformability and polarizability of the ions. It is revealed that the spectrum of lattice vibrations in the cubic phase contains unstable vibrational modes, which occupy the phase space in the entire Brillouin zone. The eigenvectors of the softest mode at the boundary point R of the Brillouin zone are associated with the displacements of the oxygen ions and correspond to the "rotation" of the MnO6 octahedron. The condensation of one, two, and three components of this mode leads to the tetragonal, orthorhombic, and rhombohedral distortions of the structure. The structural phase transition is described in terms of the local mode approximation with the use of the double perovskite unit cell, in which the MnO6 octahedron is explicitly separated. The parameters of the model Hamiltonian are determined. The static properties are investigated by the Monte Carlo method. The calculated temperature of the phase transition from the cubic phase (9800 K) is considerably higher than the melting temperature of the crystal under investigation. The calculated frequencies of long-wavelength lattice vibrations in the experimentally observed orthorhombic and rhombohedral phases are in reasonable agreement with experimental data.

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Pavlovskii, M. S.; Павловский, Максим Сергеевич; Зиненко, Виктор Иванович
}
Найти похожие

Zinenko, V. I.
Lattice dynamics and statistical mechanics of the Fm3m - I4/m structural phase transition in Rb2KInF6 / V. I. Zinenko, N. G. Zamkova // Phys. Solid State. - 2001. - Vol. 43, Is. 12. - P. 2290-2300, DOI 10.1134/1.1427959. - Cited References: 18 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
FIRST-PRINCIPLES THEORY
   RB2KSCF6 CRYSTAL
   ELPASOLITES
   PEROVSKITES
Аннотация: The static and dynamic properties of cubic Rb2KInF6 crystals with elpasolite structure are calculated using a nonempirical method. Calculations are performed within a microscopic ionic-crystal model taking into account the deformation and polarization of ions. The deformation parameters of ions are determined by minimizing the total energy of the crystal. The calculated equilibrium lattice parameters agree satisfactorily with the experimental data. It is found that in the cubic phase there are vibrational modes that are unstable everywhere in the Brillouin zone. The eigenvectors of the unstablest mode at the center of the Brillouin zone of the cubic phase are associated with the displacements of F ions and correspond to rotations of InF6 octahedra. Condensation of this mode leads to a tetragonal distortion of the structure. In order to describe the Fm3m -- I4/m phase transition, an effective Hamiltonian is constructed under the assumption that the soft mode whose eigenvector corresponds to octahedron rotation is local and coupled with homogeneous elastic strains. The parameters of the effective Hamiltonian are determined using the calculated crystal energy for the distorted structures due to soft-mode condensation. The thermodynamic properties of the system with this model Hamiltonian are investigated using the Monte Carlo method. The phase transition temperature is calculated to be 550 K, which is twice its experimental value (283 K). The tetragonal phase remains stable down to T = 0 K; the effective Hamiltonian used in this paper thus fails to describe the second phase transition (to the monoclinic phase). Thus, the transition to the tetragonal phase occurs for the most part through octahedron rotations; however, additional degrees of freedom, first of all, the displacements of Rb ions, should be included into the effective Hamiltonian in order to describe the transition to the monoclinic phase. (C) 2001 MAIK "Nauka/ Interperiodica".

WOS,
Scopus,
Читать в сети ИФ
Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Зиненко, Виктор Иванович
}
Найти похожие

Zinenko, V. I.
Lattice dynamics and phase transitions in a crystal Ba2ZnTeO6 / V. I. Zinenko, A. S. Shinkorenko // Phys. Solid State. - 2022. - Vol. 64, Is. 12. - P. 1986-1992, DOI 10.21883/PSS.2022.12.54395.445. - Cited References: 12. - The calculations were performed using the computer resources ”Integrated simulation and processing of data of mega-class scientific research units” of National Research Centre” Kurchatov Institute“ (http://ckp.urcki.ru) . - ISSN 1063-7834. - ISSN 1090-6460
Кл.слова (ненормированные):
lattice dynamics -- phase transitions -- double perovskites
Аннотация: The lattice dynamics of Ba2ZnTeO6 double perovskite in three phases has been studied. Vibrational spectra and dynamic charges are calculated. In the rhomobohedral phase R3¯m, soft modes were found; after their condensation, the C2/m phase was obtained, which agrees with the experiment. An assessment was made of the dependence of the enthalpy of different phases on pressure; it showed that the monoclinic phase is more favorable at 0 pressure, but as the pressure increases to 2.9 GPa, the cubic phase Fm3¯m becomes advantageous.

Смотреть статью

Публикация на русском языке Зиненко, Виктор Иванович. Динамика решетки и фазовые переходы в кристалле Ba2ZnTeO6 [Текст] / В. И. Зиненко, А. С. Шинкоренко // Физ. тверд. тела. - 2022. - Т. 64 Вып. 12. - С. 2021-2027

Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia

Доп.точки доступа:
Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич; Зиненко, Виктор Иванович
}
Найти похожие

Zinenko, V. I.
Ab initio calculation of the ferroelectric phase transition in disordered and ordered PbSc0.5Ta0.5O3 and PbSc0.5Nd0.5O3 solid solutions with the use of a model Hamiltonian / V. I. Zinenko, N. G. Zamkova // J. Exp. Theor. Phys. - 2008. - Vol. 106, Is. 3. - P. 542-549, DOI 10.1134/S1063776108030138. - Cited References: 17 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
RELAXOR FERROELECTRICS
   PEROVSKITES
   BATIO3
   PBTIO3
Кл.слова (ненормированные):
Approximation theory -- Ferroelectric materials -- Hamiltonians -- Mathematical models -- Monte Carlo methods -- Phase transitions -- Ferroelectric phase transition -- Gordon-Kim model -- Local-mode approximation -- Solid solutions
Аннотация: To describe the ferroelectric phase transition in ordered and disordered PbSc0.5Ta0.5O3 (PST) and PbSc0.5Nd0.5O3 (PSN) solid solutions, a model Hamiltonian is written in the local-mode approximation, in which long-range dipole-dipole and short-range interactions of local modes are taken into account. The Hamiltonian parameters are determined from the set of energies of a series of distorted structures, calculated within the nonempirical generalized Gordon-Kim model. The statistical mechanics of the systems with a model Hamiltonian is investigated by the Monte Carlo method. It is revealed that PSN solid solutions undergo a transition to the ferroelectric rhombohedral phase through an intermediate phase, existing in a narrow temperature range. PST solid solutions undergo a ferroelectric phase transition directly from the paraelectric cubic to the ferroelectric rhombohedral phase.

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

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Зиненко, Виктор Иванович
}
Найти похожие

Zhandun, V. S.
Lattice dynamics, ferroelectric and antiferroeelctric instabilities, and the ferroelectric phase transition in disordered PbB(1/2)' B(1/2)'' O(3) (B ' = Ga, In, Lu; B '' = Nb, Ta) solid solutions / V. S. Zhandun, N. G. Zamkova, V. I. Zinenko // J. Exp. Theor. Phys. - 2008. - Vol. 106, Is. 6. - P. 1109-1117, DOI 10.1134/S1063776108060101. - Cited References: 29 . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
STATISTICAL-MECHANICS
   PEROVSKITES
   CRYSTALS
   ORDER
   RELAXOR
   BATIO3
   PBTIO3
Кл.слова (ненормированные):
Crystal lattices -- Ferroelectricity -- Lattice vibrations -- Solids -- Ferroelectric (barium strontium titanate) -- Ferroelectric phase transitions -- Lattice (CO) -- Lattice dynamics -- Vibration spectrum -- Ferroelectric materials
Аннотация: The lattice vibration spectra, rf permittivity, and dynamic Born charges of disordered PbB(1/2)'B(1/2)'' O(3) (B' = Ga, In, Lu; B '' = Nb, Ta) solid solutions are calculated in terms of the generalized Gordon-Kim model. All the compounds are found to have soft modes related to the center (Gamma(15)) and boundary point R (R(15)) of the Brillouin zone; the frequencies of these modes are close. The ferroelectric phase transition temperatures and the spontaneous polarization in the ferroelectric phase are calculated for the solid solutions using a model Hamiltonian in the local mode approximation and the Monte Carlo method. These temperatures for the tantalum compounds are found to be higher than for the niobium compounds, and temperature t(s) increases with the atomic number of ion B'. A model where the antiferroelectric state is related to the condensation of modes Gamma(15) and R(15) is proposed. It is found that, for all compounds except for PbSc(1/2)Nb(1/2)O(3) and PbSc(1/2)Ta(1/2)O(3), the ferroelectric phase, which is only related to the condensation of mode R(15), and the antiferroelectric phase have similar energies. In PbIn(1/2)Ta(1/2)O(3), the antiferroelectric phase turns out to be energetically favorable.

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

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zinenko, V. I.; Зиненко, Виктор Иванович; Жандун, Вячеслав Сергеевич
}
Найти похожие

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.

WOS,
Scopus,
Читать в сети ИФ
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
}
Найти похожие

Zhandun, V. S.
First principles investigation of the magnetic, magnetoelectric, and optical properties of double perovskites containing ions of transition metals LaPbTSbO6 (T = Fe, Co, Ni) / V. S. Zhandun, V. I. Zinenko // J. Exp. Theor. Phys. - 2017. - Vol. 125, Is. 6. - P. 1116-1126, DOI 10.1134/S106377611712010X. - Cited References:22. - This work was supported by the Russian Foundation for Basic Research, project no. 15-02-00340, and by the Government of Krasnoyarsk Krai and Krasnoyarsk Krai Fund for the Support of Research and Development (project no. 16-42-243035). The calculations were carried out on the computing facilities of the National Research Center Kurchatov Institute (ui2.computing.kiae.ru). . - ISSN 1063-7761. - ISSN 1090-6509
Аннотация: Within the first principles approach implemented in the VASP package, a correlation between magnetic, electronic, polarization, and optical properties, on the one hand, and the structural ordering of cations, on the other hand, is investigated in double perovskites LaPbTSbO6 (T = Fe, Co, Ni). Two types of cation ordering are considered: simultaneous layered (LL) and checkerboard (RR) ordering of both cations. These two types of ordering are chosen due to their significance; namely, the ordering RR is one of the most implementable types of cation ordering in double perovskites, and compounds with layered ordering can be considered as a heterostructure consisting of periodically alternating metal-nonmagnetic metal layers, which is of interest for experimental synthesis and investigation. It is found that the type of cation ordering in compounds with T = Fe and Ni radically changes the magnetic and/or electronic properties of the compound. Moreover, it is found that low-symmetry stable phases are polar for both types of cation ordering, and the values of spontaneous polarization are evaluated.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

Публикация на русском языке Жандун, Вячеслав Сергеевич. Исследование ab initio магнитных, магнитоэлектрических и оптических свойств двойных перовскитов, содержащих ионы переходных металлов LaPbTSbO6 (T = Fe, Co, Ni) [Текст] / В. С. Жандун, В. И. Зиненко // Журн. эксперим. и теор. физ. - 2017. - Т. 152 Вып. 6. - С. 1309-1320

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Akademgorodok 50-38, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Жандун, Вячеслав Сергеевич; Russian Foundation for Basic Research [15-02-00340]; Government of Krasnoyarsk Krai and Krasnoyarsk Krai Fund for the Support of Research and Development [16-42-243035]
}
Найти похожие

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.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

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]
}
Найти похожие

10.

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.

Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ

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]
}
Найти похожие