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1.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Shinkorenko A. S., Zinenko V. I., Pavlovskii M. S.
Заглавие : Ab initio investigation of physical properties and phase diagram of magnetic tetraborate crystals M+2B4O7
Коллективы : Российская академия наук, Уральское отделение РАН, Институт физики металлов им. М. Н. Михеева Уральского отделения РАН, Уральский федеральный университет им. первого Президента России Б.Н. Ельцина, Российский фонд фундаментальных исследований, Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium
Место публикации : Euro-asian symposium "Trends in magnetism" (EASTMAG-2019): Book of abstracts/ чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.] ; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. - Vol. 2. - Ст.K.P20. - P.354. - ISBN 978-5-9500855-7-4 (Шифр В33/E12-125657784)
Примечания : Cited References: 4
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2.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Pavlovskii M. S., Shinkorenko A. S., Zinenko V. I.
Заглавие : Band structure, lattice dynamics and magnetoelectric properties of double perovskite La2CuTiO6
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016): abstracts/ ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk: KIP RAS SB, 2016. - Ст.P3.17. - P.201. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Ключевые слова (''Своб.индексиров.''): lattice dynamics--magnetoelectrics
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pavlovskii M. S., Andryushin N. D.
Заглавие : Calculating the Lattice Dynamics in the RFe3(BO3)4 Crystals in the Quasi-Harmonic Approximation
Место публикации : Phys. Solid State. - 2019. - Vol. 61, Is. 11. - P.2019-2025. - ISSN 10637834 (ISSN), DOI 10.1134/S106378341911026X
Примечания : Cited References: 14. - This study was supported by the Russian Science Foundation, project no. 17-72-10122.
Аннотация: The frequencies of lattice vibrations in the RFe3(BO3)4 (R = Pr, Nd, Tb, Dy, or Ho) crystals in the high-temperature R32 phase and their temperature dependence have been calculated using the quasi-harmonic approximation. It has been found that, at the boundary point Λ of the Brillouin zone, the frequency of the unstable vibration mode the structural phase transition R32 → P3121 is related to strong changes with temperature in the TbFe3(BO3)4, DyFe3(BO3)4, and HoFe3(BO3)4 crystals. With increasing temperature, the frequency of the soft mode stabilizes and takes a real value. No significant changes in the phonon spectra, including the boundary point Λ, with increasing temperature for the PrFe3(BO3)4 and NdFe3(BO3)4 crystals have been observed.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Andryushin N. D., Zinenko V. I., Pavlovskii M. S., Shinkorenko A. S.
Заглавие : Calculation and Comparison of Electronic, Vibrational, Polarization, and Magnetic Properties of Double Perovskites CaMnTi2O6 and CaFeTi2O6
Место публикации : J. Exp. Theor. Phys. - 2019. - Vol. 129, Is. 6. - P.1036-1044. - ISSN 10637761 (ISSN), DOI 10.1134/S1063776119110013
Примечания : Cited References: 18. - This work was supported by the Russian Foundation for Basic Research (project no. 18-02-00130-a)
Аннотация: Vibrational, polarization, magnetic, and electronic properties of double perovskites CaMnTi2O6 and CaFeTi2O6 with a rare type of “column” ordering of divalent metal cations have been calculated based on the density functional theory. Analysis of the crystal lattice dynamics for paraelectric phase P42/nmc of both compounds has revealed that ferroelectric instability exists only in CaMnTi2O6. It is found that the structure distortion of the paraphrase of CaMnTi2O6 in the eigenvector of the unstable polar mode leads to a structure with the P42/nmc space group. The calculated spontaneous polarization for the ferroelectric phase of CaMnTi2O6 is Ps = 25 μC/cm2. The spin-polarization calculations have shown that the ground state is ferromagnetic in the CaFeTi2O6 crystal and antiferromagnetic in the CaMnTi2O6 crystal. The exchange interaction constants have been calculated using the Heisenberg model and the mean field approximation; the phase transition temperature for each compound has been estimated.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pavlovskii M. S., Shinkorenko A. S., Zinenko V. I.
Заглавие : Calculation of lattice dynamics, elastic and dielectric properties of γ-BiB3O6 and δ-BiB3O6
Коллективы : Council on Grants from the President of the Russian Federation for Support of the "Leading Scientific Schools" [NSh-924.2014.2]
Место публикации : Phys. Solid State: MAIK Nauka-Interperiodica / Springer, 2015. - Vol. 57, Is. 4. - P.675-682. - ISSN 1063, DOI 10.1134/S1063783415040241. - ISSN 10906460(eISSN)
Примечания : Cited References:14. - This study was supported by the Council on Grants from the President of the Russian Federation for Support of the "Leading Scientific Schools" (grant no. NSh-924.2014.2).
Предметные рубрики: BISMUTH BORATE BiB3O6
OPTICAL-PROPERTIES
CRYSTAL
RAMAN
Аннотация: The crystal lattice vibration frequencies, densities of phonon states, elastic moduli, and high-frequency permittivities have been calculated in terms of the density functional theory method for two polymorphs γ-BiB3O6 and δ-BiB3O6. Based on the calculated densities of phonon states, the temperature dependences of the free energies of two considered bismuth triborate modifications have been constructed, and the temperature of the phase transition between these modifications has been determined (1100 K). The structure of a possible nonpolar praphase of δ-BiB3O6 has been proposed. The polarization of δ-BiB3O6 has been estimated as 131 μC/cm2.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shinkorenko A. S., Pavlovskii M. S., Zinenko V. I.
Заглавие : Calculation of the electronic structure, lattice dynamics, and optical and magnetic properties of europium tetraborate EuB4O7
Место публикации : Phys. Solid State: Maik Nauka-Interperiodica Publishing, 2016. - Vol. 58, Is. 11. - P.2300-2306. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783416110329
Примечания : Cited References: 20
Аннотация: The electronic band structure, lattice vibration frequencies, and optical and magnetic properties of EuB4O7 crystal with α-SrB4O7-type structure are calculated within the density functional method. It is found that this compound is a dielectric with a band gap of the order of 4 eV. It is found that the ground state of this crystal is the state with ferromagnetic ordering of Eu2+ spins. Exchange interaction constants are calculated; the ferromagnetic ordering temperature is estimated within the molecular field approximation (Tc ≈ 1 K). The EuB4O7 compound is a magnetic pyroelectric and, hence, can exhibit magnetoelectric properties. The calculated polarization change during ferromagnetic ordering of this crystal is 3973 μC/m2. © 2016, Pleiades Publishing, Ltd.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Pavlovskii M. S., Shinkorenko A. S.
Заглавие : Electronic structure, lattice dynamics, and magnetoelectric properties of double perovskite La2CuTiO6
Место публикации : Phys. Solid State: Maik Nauka-Interperiodica Publishing, 2016. - Vol. 58, Is. 11. - С. 2294-2299. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783416110408
Примечания : Cited References: 14
Аннотация: The results of ab initio calculations of the electronic structure, vibrational properties, and the magnetoelectric effect in the La2CuTiO6 crystal with double perovskite structure are presented. The lattice dynamics calculation shows the presence of unstable modes in the phonon spectrum of the high-symmetry cubic phase with space group Fm3m. Condensation of two most unstable modes belonging to the center and the boundary point X of the Brillouin zone leads to the formation of a nonpolar stable phase with space group P21/n. The calculation taking into account spin polarization shows that the magnetic ground state is E*-type antiferromagnetic with doubled magnetic cell and with the two spin-up and two spin-down configuration of magnetic moments of copper ions along the [010] crystallographic direction. Such ordering of magnetic moments leads to polar space group and polarization formation. The polarization magnitude is estimated as 71 μC/m2. © 2016, Pleiades Publishing, Ltd.
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8.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Shinkorenko A. S., Zinenko V. I., Pavlovskii M. S.
Заглавие : Electronic structure, magnetic, optical and polarization properties of the multiferroic CaMnTi2O6 by first principles
Коллективы : Joint Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, Young scientists school on the spectroscopic, Физико-технический институт им. А.Ф. Иоффе РАН, Санкт-Петербургский политехнический университет им. Петра Великого
Место публикации : Joint 14th Rus./CIS/Baltic/Japan Symp. on Ferroelectricity (RCBJSF)/ Young sci. school on the spect. studies of critical dynamics at struct. phase trans.: Abstract book/ org. comm. A. N. Vtyurin ; progr. comm. I. N. Flerov. - 2018. - P.148. - ISBN 978-5-9651-1144-2
Примечания : Cited References:
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shinkorenko A. S., Zinenko V. I., Pavlovskii M. S.
Заглавие : Electronic structure, optical properties, and pressure behavior of the CdB4O7 and HgB4O7 compounds
Место публикации : Phys. Solid State. - 2018. - Vol. 60, Is. 9. - P.1704-1711. - ISSN 10637834 (ISSN), DOI 10.1134/S1063783418090305
Примечания : Cited References: 23. - This study was supported by the Russian Foundation for Basic Research, project no. 16-32-00373mol_a on the equipment of the Center of Collective Use “Complex for Simulation and Data Processing for Mega-Science Facilities,” National Research Center “Kurchatov Institute.”
Аннотация: Ab initio calculations of the structural, electronic, and optical properties of the CdB4O7 and HgB4O7 tetraborate compounds in three structural modifications with the Pbca, Cmcm, and Pmn21 symmetry have been performed in the framework of the density functional theory using the VASP package. The calculations of the electronic band structure showed that these compounds in all the investigated modifications are dielectrics with a band gap of 2–4 eV. The calculation of the structural properties of the tetraborates under pressure showed that the phase transition between the Pbca and Pmn21 structures in cadmium and mercury tetraborates occurs under pressures of 4.8 and 4.7 GPa, respectively.
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10.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sofronova S. N., Pavlovskii M. S., Chernyshov A., Moshkina E. M., Velikanov D. A.
Заглавие : Exprerimental and theoretical study of the cation and magnetic ordering in NixCo3-xB2O6
Коллективы : Samarkand International Symposium on Magnetism, Samarkand State University
Место публикации : Book of abstacts of Samarkand International Symposium on Magnetism (SISM-2023)/ int. adv. com. S. G. Ovchinnikov [et al.]. - 2023. - Ст.2PO-L4-21. - P.119. - ISBN 978-5-00202-320-2
Примечания : Cited References: 3. - РНФ № 23-12-20012 ; Красноярский регион. фонд науки
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