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1.


    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".

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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
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2.


    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.

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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
}
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3.


    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".

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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
}
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4.


    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.

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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
}
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5.


    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.

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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
}
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6.


    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.

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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
}
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7.


    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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8.


    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.

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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]
}
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9.


    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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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.

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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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11.


    Zamkova, N. G.
    The behaviour of ferroelectric instability in the ABO3 (A= Ba, Sr, Pb; B= Ti, Zr) perovskites with doping Bi+3 and La+3 ions / N. G. Zamkova, V. I. Zinenko // Abstracts of the 10th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity. - 2010. - P. 167

Материалы симпозиума

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Замкова, Наталья Геннадьевна; Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(10 ; 2010 ; June 20-25 ; Yokohama, Japan)
}
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12.


    Zamkova, N. G.
    Lattice dynamics and ferroelectric phase transitions in solid solutions PbSc(1/2)Nb(1/2)O(3) and PbSc(1/2)Ta(1/2)O(3) / N. G. Zamkova, V. I. Zinenko ; ed. B Perrin [et al.] // 12TH INTERNATIONAL CONFERENCE ON PHONON SCATTERING IN CONDENSED MATTER (PHONONS 2007). Ser. Journal of Physics Conference Series : IOP PUBLISHING LTD, 2007. - Vol. 92: 12th International Conference on Phonon Scattering in Condensed Matter (PHONONS 2004) (JUL 15-20, 2007, Paris, FRANCE). - Ст. 12162, DOI 10.1088/1742-6596/92/1/012162. - Cited References: 14 . - ISBN 1742-6588
РУБ Physics, Condensed Matter
Рубрики:
PEROVSKITES
   BATIO3

Аннотация: The calculation of the lattice dynamics and ferroelectric phase transitions for disordered and ordered solid solution PbSc(1/2)Nb(1/2)O(3) and PbSC(1/2)Ta(1/2)O(3) in the framework of the Gordon-Kim model are performed. The unstable ferroelectric modes were found in all cases. The model Hamiltonian for the study finite temperature behavior during for the ferroelectric phase transition is used. The transition temperatures, phase sequences and spontaneous polarizations are calculated by Monte-Carlo method.

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Держатели документа:
[Zamkova, N. G.
Zinenko, V. I.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Div, Krasnoyarsk 660036, Akademgorodok, Russia
ИФ СО РАН
L v Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Akademgorodok, 660036, Russian Federation

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Perrin, B. \ed.\; Bonello, B. \ed.\; Devos, A. \ed.\; Duquesne, JY. \ed.\; Duquesne, Y. \ed.\; Замкова, Наталья Геннадьевна
}
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13.


    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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14.


   
    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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15.


   
    Tunable photoluminescence in Sb3+-doped zero-dimensional hybrid metal halides with intrinsic and extrinsic self-trapped excitons / J. Zhou, M. Z. Li, M. S. Molokeev [et al.] // J. Mater. Chem. C. - 2020. - Vol. 8, Is. 15. - P. 5058-5063, DOI 10.1039/d0tc00391c. - Cited References: 33. - This work is supported by the National Natural Science Foundation of China (No. 51722202, 51961145101, 51972118, 21576002 and 61705003), Fundamental Research Funds for the Central Universities (D2190980), the Guangdong Provincial Science & Technology Project (2018A050506004), and Beijing Technology and Business University Research Team Construction Project (No. PXM2019_014213_000007). This work was also funded by RFBR according to the Research Project No. 19-52-80003. . - ISSN 2050-7526. - ISSN 2050-7534
   Перевод заглавия: Перестраиваемая фотолюминесценция в нульмерных гибридных металлогалогенидах, легированных Sb3 +, с внутренними и внешними автолокализованными экситонами
РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
WHITE-LIGHT EMISSION
   LUMINESCENCE

   PEROVSKITES

   CS2NASCCL6

   CS2NAYCL6

Аннотация: Dopants in luminescent metal halides provide an alternative way for photoluminescence tuning towards versatile optical applications. Here we report a trivalent antimony (Sb3+)-doped single crystalline 0D metal halide with the composition of (C9NH20)9[Pb3Cl11](ZnCl4)2:Sb3+. This compound possessed the coexistence of two emission centers including intrinsic and extrinsic self-trapped excitons (STEs), which are ascribed to [Pb3Cl11]5− clusters and triplet STEs formed by the 3P1–1S0 transition of Sb3+. By regulating the Sb3+ concentration, the emission can be tuned from green to yellow and finally to orange, which would help to develop optically pumped white light-emitting diodes (WLEDs) with different photometric characteristics. Moreover, this dopant-induced extrinsic STE approach presents a new direction towards tuning the luminescence properties of 0D metal halides, and may find application in environmentally-friendly, high-performance metal halide light emitters.

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Держатели документа:
Beijing Technol & Business Univ, Sch Sci, Beijing 100048, Peoples R China.
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing Municipal Key Lab New Energy Mat & Techno, Beijing 100083, Peoples R China.
RAS, SB, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangzhou 510641, Peoples R China.
South China Univ Technol, Inst Opt Commun Mat, Guangzhou 510641, Peoples R China.

Доп.точки доступа:
Zhou, Jun; Li, Mingze; Molokeev, M. S.; Молокеев, Максим Сергеевич; Sun, Jiayue; Xu, Denghui; Xia, Zhiguo
}
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16.


   
    Thermal expansion, polarization and phase diagrams of Ba1-yBi2y/3Ti1-xZrxO3 and Ba1-yLayTi1-y/4O3 compounds / M. . Gorev [et al.] // J. Phys.: Condens. Matter. - 2009. - Vol. 21, Is. 7. - Ст. 75902. - P., DOI 10.1088/0953-8984/21/7/075902. - Cited References: 28. - This work was supported by the Russian Foundation for Basic Research ( project no. 07-02-00069) and the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools ( project no. NSh-1011.2008.2). . - ISSN 0953-8984
РУБ Physics, Condensed Matter
Рубрики:
HEAT-CAPACITY
   CERAMICS

   BA(TI1-XZRX)O-3

   FERROELECTRICS

   BEHAVIOR

   BATIO3

   BATI0.65ZR0.35O3

   CONDUCTIVITY

   PEROVSKITES

   CHEMISTRY

Кл.слова (ненормированные):
Barium -- Dielectric properties -- Lanthanum -- Phase diagrams -- Polarization -- Thermal stress -- Zirconium -- Ceramic compositions -- Root mean squares -- Temperature ranges -- Temperature-dependent measurements -- Thermal expansion co-efficient -- Thermal-expansion properties -- Thermal expansion
Аннотация: The thermal expansion properties of the ceramic compositions Ba1-yLayTi1-y/4O3 (y = 0.0, 0.026, 0.036, 0.054) and Ba1-yBi2y/3Ti1-xZrxO3 (y = 0.10; x = 0.0, 0.04, 0.05, 0.10, 0.15) were determined in the temperature range 120-700 K. We report the temperature- dependent measurements of the strain, thermal expansion coefficient and the magnitude of root mean square polarization. The results obtained are discussed together with the data on the structure and dielectric properties.

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Держатели документа:
[Gorev, Michail
Bondarev, Vitaly
Flerov, Igor] Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Gorev, Michail
Bondarev, Vitaly
Flerov, Igor] Siberian Fed Univ, Inst Engn Phys, Krasnoyarsk 660041, Russia
[Maglione, Mario
Simon, Annie] Univ Bordeaux 1, ICMCB CNRS, F-33608 Pessac, France
[Sciau, Philippe] Univ Toulouse, CEMES CNRS, F-31055 Toulouse, France
[Boulos, Madona
Guillemet-Fritsch, Sophie] Univ Toulouse, CIRIMAT CNRS UPS INPT, F-31062 Toulouse, France
ИФ СО РАН
L v Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Institute of Engineering Physics, Siberian Federal University, av. Svobodny 79, Krasnoyarsk, 660041, Russian Federation
ICMCB-CNRS, Universite de Bordeaux i, 87 avenue A Schweitzer, 33608 Pessac, France
CEMES-CNRS, Universite de Toulouse, 29 rue Jeanne Marvig, 31055 Toulouse, France
CIRIMAT CNRS/UPS/INPT, Universite de Toulouse, Batiment 2R1, 118 route de Narbonne, 31062 Toulouse, France

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Flerov, I. N.; Флёров, Игорь Николаевич; Maglione, M.; Simon, A.; Sciau, P.; Boulos, M.; Guillemet-Fritsch, S.; Russian Foundation for Basic Research [07-02-00069]; Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools [NSh-1011.2008.2]
}
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17.


   
    Thermal expansion and polarization of (1-x)PNN-xPT solid solutions / M. V. Gorev [et al.] // Integr. Ferroelectr. - 2019. - Vol. 196, Is. 1. - P. 60-63, DOI 10.1080/10584587.2019.1591957. - Cited References: 6 . - ISSN 1058-4587. - ISSN 1607-8489
   Перевод заглавия: Тепловое расширение и поляризация твердых растворов (1-x)PNN-xPT
РУБ Engineering, Electrical & Electronic + Physics, Applied + Physics, Condensed Matter
Рубрики:
BEHAVIOR
Кл.слова (ненормированные):
thermal expansion -- polarization -- relaxors -- perovskites
Аннотация: The paper presents the results of detailed studies of the thermal expansion of (1-x)he paper presents the results of detailed studies of the thermal expansion of (1-x)PbNi1/3Nb2/3O3-xPbTiO3 solid solutions with x = 0-0.8. The anomalous and lattice contributions to deformation and the thermal expansion coefficient are analyzed and the mean square polarization Pd is determined. The results obtained are discussed within the framework of the thermodynamic theory and the Landau 2-4-6 coefficients for solid solutions are estimated.

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Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk, Russia.
Siberian Fed Univ, Inst Phys & Radioelect, Krasnoyarsk, Russia.
Univ Latvia, Inst Solid State Phys, LV-1063 Riga, Latvia.

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Bormanis, K.; Kalvane, A.; International Scientific Conference on Functional Materials and Nanotechnologies(12 ; 2018 ; Oct. 02-05 ; Riga, Latvia)
}
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18.


   
    The magnetic-field-driven effect of microwave detection in a manganite granular system / N. V. Volkov [et al.] // J. Phys. D. - 2008. - Vol. 41, Is. 1. - Ст. 15004, DOI 10.1088/0022-3727/41/1/015004. - Cited References: 24 . - ISSN 0022-3727
РУБ Physics, Applied
Рубрики:
IDENTICAL METALS
   TUNNEL-JUNCTIONS

   MAGNETORESISTANCE

   RECTIFICATION

   SPINTRONICS

   TEMPERATURE

   PEROVSKITES

Кл.слова (ненормированные):
Bias currents -- Curie temperature -- Electric power generation -- Granular materials -- Magnetic field effects -- Microwave irradiation -- Voltage measurement -- Direct current voltage -- Magnetic tunnel junctions -- Metal insulator metal junctions -- Nonmagnetic metals -- Manganites
Аннотация: We demonstrate the microwave detection effect in a granular La0.7Ca0.3MnO3 sample. Dc voltage generated by the sample in response to microwave irradiation below the Curie temperature is found to be dependent on the applied magnetic field. The magnetic field dependence of the dc voltage has a broad peak resembling an absorption line. The detection effect depends substantially on the magnetic history of the sample; however, identical measurement conditions provide reproducibility of the experimental results. The detected dc voltage increases linearly with microwave power and strongly depends on a bias current through the sample. According to the results of systematic measurements, there exist two contributions to a value of the detected output signal. The first is magneto-independent; it can be explained in the framework of a mechanism used traditionally for description of the rectification effect in metal-insulator-metal junctions with nonmagnetic metals. The other is magneto-dependent; it originates from the interplay between the spin-dependent current through magnetic tunnel junctions and spin dynamics of the grains, which form these junctions in the sample.

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Держатели документа:
[Volkov, N. V.
Eremin, E. V.
Shaykhutdinov, K. A.
Tsikalov, V. S.
Petrov, M. I.
Balaev, D. A.
Semenov, S. V.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Volkov, N. V.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Siberian Federal University, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Volkov, N. V.; Волков, Никита Валентинович; Eremin, E. V.; Еремин, Евгений Владимирович; Shaykhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Tsikalov, V. S.; Petrov, M. I.; Петров, Михаил Иванович; Balaev, D. A.; Балаев, Дмитрий Александрович; Semenov, S. V.; Семенов, Сергей Васильевич
}
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19.


   
    Temperature phase transitions in Rb2KRe3+F6 elpasolites / A. N. Vtyurin, A. S. Krylov, S. N. Krylova [и др.] // Perovskites and other framework structure crystalline materials: 2d-perovskites, aurivillius, ruddlesden-popper, dion-jacobson phases, tungsten bronzes, clays, and others : Collaborating Academics, 2021. - P. 309-326. - (Artificially created materials and applications ; Vol. 1)

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

Доп.точки доступа:
Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Gerasimova, J. V.; Герасимова, Юлия Валентиновна; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Voronov, V. N.; Воронов, Владимир Николаевич
}
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20.


    Su, Binbin.
    Unveiling Mn2+ dopant states in two-dimensional halide perovskite toward highly efficient photoluminescence / B. B. Su, M. S. Molokeev, Z. G. Xia // J. Phys. Chem. Lett. - 2020. - Vol. 11, Is. 7. - P. 2510-2517, DOI 10.1021/acs.jpclett.0c00593. - Cited References: 49. - This work is supported by the National Natural Science Foundation of China (51961145101, 51972118, and 51722202), Fundamental Research Funds for the Central Universities (D2190980), the Guangdong Provincial Science & Technology Project (2018A050506004), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137). This work is also funded by RFBR according to the research project no. 19-52-80003. . - ISSN 1948-7185
   Перевод заглавия: Открытие легирующих состояний Mn2 + в двумерном галоидном перовските для высокоэффективной фотолюминесценции
РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical
Рубрики:
LEAD BROMIDE PEROVSKITES
   ENERGY-TRANSFER

   EXCITON DYNAMICS

   DOPING MN2+

Аннотация: Doping is able to create novel optoelectronic properties of halide perovskites, and the involved mechanism of efficient emission is still a challenge. Herein Mn2+ substitution into 2D layered perovskites (C8H20N2)PbBr4 was investigated, demonstrating broad-band orange-red emission originating from the 4T1 → 6A1 transition of Mn2+ dopant. The photoluminescence quantum yield (PLQY) of Mn2+ emission is up to 60.8% related to the energy transfer in coupled states. We verify that an actual Mn2+ dopant as low as 0.476% reaches a high PLQY, whereas the nominal adding amount is 0.8 as the Mn2+/Pb2+ ratio. The small activation energy (∼6.72 meV) between the Mn2+ d state and the trap state accounts for this highly efficient energy transfer and photoluminescence. The proposed luminescence mechanism in Mn2+-doped 2D halide perovskites would provide unique insights into the doping design toward high-performance luminescence materials.

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Держатели документа:
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangdong Prov Key Lab Fiber Laser Mat & Appl Tec, Sch Mat Sci & Technol, Guangzhou 510640, Guangdong, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Xia, Zhiguo
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