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

Формат представления найденных документов:
полный	информационный	краткий

Отсортировать найденные документы по:
автору	заглавию	году издания	типу документа

Поисковый запрос: (<.>A=Pavlovskii, M. S.$<.>)

Общее количество найденных документов : 36
Показаны документы с 1 по 20

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
Материалы симпозиума,
Читать в сети ИФ
Найти похожие

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
Найти похожие

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.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

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.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

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.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

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.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

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.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

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:
Материалы конференции
Найти похожие

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.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

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
Материалы конференции,
Читать в сети ИФ
Найти похожие

11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gudim I. A., Mikhashenok N. V., Vasiliev A. D., Melnikova S. V., Pavlovskii M. S., Skorobogatov S. A., Pankrats A. I.
Заглавие : Features of the melt–solution synthesis of the TbCr3(BO3)4 single crystals
Колич.характеристики :6 с
Место публикации : J. Cryst. Growth. - 2024. - Vol. 637-638. - Ст.127716. - ISSN 00220248 (ISSN), DOI 10.1016/j.jcrysgro.2024.127716. - ISSN 18735002 (eISSN)
Примечания : Cited References: 22. - The authors thank A.V. Zamkov for assistance in preparing the samples for the conoscopic study. The characterization and examination of the samples were performed at the Center for Collective Use, Krasnoyarsk Scientific Center, Siberian Branch of the Russian Academy of SciencesThis study was supported in part by the Russian Science Foundation and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activity, project no. 22-12-20019
Аннотация: The phase formation of terbium chromoborate TbCr3(BO3)4 in the bismuth trimolybdate and lithium tungstate melt–solutions has been studied. The absence of the terbium chromoborate trigonal phase in the bismuth trimolybdate-based system at all component ratios has been shown. The component ratio in the lithium tungstate-based system has been found at which the TbCr3(BO3)4 trigonal crystals are formed at temperatures above 1100 °C; below this temperature, the monoclinic phase dominates. The structural and magnetic properties of the grown crystals have been studied. It has been established that the trigonal and monoclinic TbCr3(BO3)4 crystals synthesized from the lithium tungstate-based solvent exhibit identical magnetic properties. At the same time, a significant difference of the magnetic properties of the single crystals synthesized from the bismuth molybdate melt–solution has been observed. This difference has been attributed to the effect of Bi3+ ions that partially replace Tb3+ ions.
Смотреть статью,
WOS,
Читать в сети ИФ
Найти похожие

12.

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.
Смотреть статью,
WoS,
Читать в сети ИФ
Найти похожие

13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Eremin E. V., Andryushin N. D., Gudim I. A., Pavlovskii M. S., Titova V. R.
Заглавие : Heat capacity of scandoborate NdSc3(BO3)4
Место публикации : Phys. Solid State. - 2022. - Vol. 64, Is. 14. - P.2435-2438. - ISSN 10637834 (ISSN), DOI 10.21883/PSS.2022.14.54353.188. - ISSN 10906460 (eISSN)
Примечания : Cited References: 21. - The study was done with financial support from the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory and the Krasnoyarsk Regional Fund of Science within the scientific project ”Development of solution-melt technologies of growing the new monocrystals of NdSc3−xGax(BO3)4 with huntite structure and study of interaction of their magnetic, electric and elastic subsystems“ (No. 20-42-240009)
Аннотация: Single crystals of trigonal neodymium scandoborate NdSc3(BO3)4 were grown by the group method from a solution-melt based on bismuth trimolybdate. The molar heat capacity C(T) was studied in the temperature range 2-300 K and magnetic fields up to 9 T. The experimental curve was approximated by the combined Debye-Einstein model. The lattice contribution was determined from ab-initio calculations. Schottky anomaly was observed in the low-temperature region C(T) with the applied magnetic field.
Смотреть статью,
Читать в сети ИФ
Найти похожие

14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pankrats A. I., Balaev A. D., Skorobogatov S. A., Krasikov A. A., Kolkov M. I., Zharkov S. M., Zeer G. M., Pavlovskii M. S., Balaev D. A.
Заглавие : Inclined magnetic structures and magnetic phase diagrams for the Pb2Fe2−xMnxGe2O9 (x = 0.16) single crystal
Место публикации : J. Magn. Magn. Mater. - 2022. - Vol. 563. - Ст.170021. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2022.170021
Примечания : Cited References: 24. - This study was supported by the Russian Foundation for Basic Research, the Government of the Krasnoyarsk Territory, and the Krasnoyarsk Territorial Foundation for Support of Scientific and R&D Activities, project no. 20-42-2 40006 “Synthesis and Study of Pb 2+ and Bi 3+ -Containing Oxide Single Crystals with Partial Substitution in One of the Subsystems: Magnetic Structures and Magnetodielectric Effect”. The SEM and EDS studies were carried out at the Joint Scientific Center of the Siberian Federal University within the state assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation
Аннотация: Single crystals of the Pb2Fe2?xMnxGe2O9 (x = 0.16) antiferromagnet have been grown. Using the specific heat measurements, a Neel temperature of TN = (42.0 ± 0.5) K for the synthesized crystals has been found. It has been shown using the magnetic measurements that, due to the competition between the magnetoanisotropic contributions of the iron and manganese subsystems in the crystals, near a temperature of Tc = 22 K, a spontaneous spin-reorientation transition occurs, the temperature of which in an applied magnetic field changes with the field value and orientation relative to the rhombic axes of the crystal. Based on the analysis of the temperature and field dependences of the magnetization obtained at different orientations of the magnetic field, it has been established that, below Tc, an inclined magnetic structure is formed in the crystal. The antiferromagnetic vector of the inclined structure rotates smoothly in the rhombic bc plane with increasing temperature from a direction close to the b axis at T = 4.2 K and tends to the rhombic c axis at T = Tc. The rotation of the antiferromagnetic vector occurs also at fixed temperatures T < Tc with increasing magnetic field. In the temperature range of Tc < T < TN, the antiferromagnetic vector is oriented along the rhombic c axis. Magnetic phase diagrams of states have been built for different magnetic field orientations relative to the rhombic axes of the crystal. The richest phase diagram is shown to correspond to the orientation H||c and contains, along with the above-listed states, one more inclined phase, in which the antiferromagnetic vector rotates toward the rhombic a axis direction with a change in temperature or magnetic field.
Смотреть статью,
Scopus
Найти похожие

15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Pavlovskii M. S.
Заглавие : Lattice dynamics and the phase transition from the cubic phase to the tetragonal phase in the LaMnO3 crystal within the polarizable-ion model
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2007. - Vol. 49, Is. 9. - P1749-1758. - ISSN 1063-7834, DOI 10.1134/S1063783407090235
Примечания : Cited References: 23
Предметные 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
Найти похожие

16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sukhanov A. S., Nikitin S. E., Pavlovskii M. S., Sterling T. C., Andryushin N. D., Cameron A. S., Tymoshenko Y. V., Walker H. C., Morozov I. V., Chernyavskii I. O., Aswartham S., Reznik D., Inosov D. S.
Заглавие : Lattice dynamics in the double-helix antiferromagnet FeP
Место публикации : Phys. Rev. Research. - 2020. - Vol. 2, Is. 4. - Ст.043405. - ISSN 2643-1564 (eISSN), DOI 10.1103/PhysRevResearch.2.043405
Примечания : Cited References: 57. - A.S.S. thanks D. A. Maksimov for fruitful discussions. I.V.M. thanks RSF 19-43-04129 for financial support in the frame of the joint DFG-RSF project, I.O.C. thanks the RFBR fund (grant 18-33-01282 [58]). D.S.I. acknowledges support from the German Research Foundation (DFG) under Grant No. IN 209/9-1, via the project C03 of the Collaborative Research Center SFB 1143 (project-id 247310070) at the TU Dresden and the Würzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matterials — ct.qmat (EXC 2147, project-id 390858490). S.A. acknowledges DFG funding No. AS 523∖4-1. This work used phonon explorer software for data analysis. Work at the University of Colorado-Boulder was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Office of Science, under Contract No. DE-SC0006939
Предметные рубрики: Lattice dynamics
Phonons
Аннотация: We present a comprehensive investigation of lattice dynamics in the double-helix antiferromagnet FeP by means of high-resolution time-of-flight neutron spectroscopy and ab initio calculations. Phonons can hybridize with the magnetic excitations in noncollinear magnets to significantly influence their properties. We observed a rich spectrum of phonon excitations, which extends up to ∼50 meV. We performed detailed analysis of the observed and calculated spectra for all high-symmetry points and high-symmetry directions of the Brillouin zone. We show that the DFT calculations quantitatively capture the essential features of the observed phonons, including both dispersions and scattering intensities. By making use of the detailed intensity comparison between the theory and the data, we were able to identify displacement vectors for the majority of the observed modes. The overall excellent agreement between the DFT predictions and the experimental results breaks down for the lowest mode at the Y point, whose energy is lower than calculated by ∼13%. The present study provides vital information on the lattice dynamics in FeP and demonstrates applicability of the DFT to novel pressure-induced phenomena in related materials, such as MnP and CrAs.
Смотреть статью,
WOS,
Читать в сети ИФ
Найти похожие

17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Pavlovskii M. S.
Заглавие : Lattice dynamics of BiFeO3 under hydrostatic pressure
Место публикации : Phys. Solid State. - 2009. - Vol. 51: 18th All-Russia Conference on Physics of Ferroelectrics (VKS-XVIII) (JUN 09-14, 2008, St Petersburg, RUSSIA), Is. 7. - P.1404-1408. - ISSN 1063-7834, DOI 10.1134/S1063783409070208
Примечания : Cited References: 10
Предметные рубрики: CRYSTAL
Аннотация: The vibrational frequencies of the BiFeO3 crystal lattice in the cubic phase (Pm3m) and the rhombohedral paraelectric phase (R3c) are calculated in terms of the ab initio model of an ionic crystal with the inclusion of the dipole and quadrupole polarizabilities. In the ferroelectric phase with the symmetry R3c, the calculated spontaneous polarization of 136 mu C cm(-2) agrees well with the experimental data. The dependences of the unit cell volume, the elastic modulus, and the vibrational frequencies on the pressure are calculated. It is found that the frequency of an unstable ferroelectric mode in both the cubic (Pm3m) and rhombohedral (R3c) phases are almost independent of the applied pressure, in contrast to classical ferroelectrics with a perovskite structure, where the ferroelectric instability is very sensitive to a variation in the pressure.
WOS,
Читать в сети ИФ
Найти похожие

18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zinenko V. I., Pavlovskii M. S.
Заглавие : Lattice dynamics of BiFeO3: The untypical behavior of the ferroelectric instability under hydrostatic pressure
Место публикации : JETP Letters. - 2008. - Vol. 87, Is. 6. - P.288-291. - ISSN 0021-3640, DOI 10.1134/S0021364008060052
Примечания : Cited References: 15
Предметные рубрики: AB-INITIO CALCULATIONS
PEROVSKITE
Аннотация: Within a nonempirical model of an ionic crystal with the inclusion of the dipole and quadrupole ion polarizations, the lattice vibrational frequencies, high-frequency dielectric constant, Born dynamic charges, and the elasticity moduli of the BiFeO3 crystal have been calculated and their dependencies on the hydrostatic pressure in the cubic, rhombic, and rhombohedral phases have been determined. The results indicate the presence of the ferroelectric instability, which depends weakly on the pressure in all of the phases investigated. The dependence of the crystal lattice dynamics on the applied pressure for the cubic phases of BiAlO3, BaTiO3, and PbTiO3 has been calculated for comparison.
WOS,
Scopus,
Читать в сети ИФ
Найти похожие

19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shinkorenko A. S., Zinenko V. I., Pavlovskii M. S.
Заглавие : Magnetic, electronic, and optical properties of the tetraborates NiB4O7 and CoB4O7 in three structural modifications
Коллективы : Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-32-00919 mol_a]
Место публикации : Phys. Solid State. - 2021. - Vol. 63, Is. 3. - P.468-476. - ISSN 1063-7834, DOI 10.1134/S1063783421030173. - ISSN 1090-6460(eISSN)
Примечания : Cited References: 22. - This study was supported by the Russian Foundation for Basic Research, project no. 18-32-00919 mol_a
Аннотация: The physical properties of the NiB4O7 and CoB4O7 tetraborate compounds in three structural modifications with the sp. gr. Pbca, Cmcm, and P6522 have been calculated using the density functional theory in the VASP software package. The pressure dependences of the enthalpy of the compounds in the investigated structural modifications have been calculated. The calculated electron densities of states and band structures showed that the compounds under study in all the considered modifications are dielectrics with a band gap of 3–4 eV. The calculation of the magnetic exchange constants in the Heisenberg model have shown qualitative agreement with the experiment.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие

20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sukhanov A. S., Pavlovskii M. S., Bourges, P.h., Walker H. C., Manna K., Felser C., Inosov D. S.
Заглавие : Magnon-polaron excitations in the noncollinear antiferromagnet Mn3Ge
Коллективы : International Max Planck Research School for Chemistry and Physics of Quantum Materials (IMPRS-CPQM); German Research Foundation (DFG) through project B05 of the Collaborative Research Center [SFB 1143, 247310070]; German Research Foundation (DFG) through project C03 of the Collaborative Research Center [SFB 1143, 247310070]; German Research Foundation (DFG) through Wurzburg-Dresden Cluster of Excellence ct.qmat [EXC 2147, 39085490]; German Research Foundation (DFG) [SPP 2137]
Место публикации : Phys. Rev. B. - 2019. - Vol. 99, Is. 21. - Ст.214445. - ISSN 2469-9950, DOI 10.1103/PhysRevB.99.214445. - ISSN 2469-9969(eISSN)
Примечания : Cited References: 53. - We thank S. E. Nikitin for many stimulating discussions. A.S.S. acknowledges support from the International Max Planck Research School for Chemistry and Physics of Quantum Materials (IMPRS-CPQM). Work at the TU Dresden was funded by the German Research Foundation (DFG) through projects B05 and C03 of the Collaborative Research Center SFB 1143 (project i.d. 247310070), Wurzburg-Dresden Cluster of Excellence ct.qmat (EXC 2147; project i.d. 39085490), and Priority Program SPP 2137 "Skyrmionics."
Предметные рубрики: TRIANGULAR SPIN CONFIGURATION
WEAK FERROMAGNETISM
MN3SN
Аннотация: We present detailed inelastic neutron scattering measurements of the noncollinear antiferromagnet Mn3Ge. Time-of-flight and triple-axis spectroscopy experiments were conducted at the temperature of 6 K, well below the high magnetic ordering temperature of 370 K. The magnetic excitations have a 5-meV gap and display an anisotropic dispersive mode reaching ~ 90 meV at the boundaries of the magnetic Brillouin zone. The spectrum at the zone center shows two additional excitations that demonstrate characteristics of both magnons and phonons. Ab initio lattice-dynamics calculations show that these can be associated with the magnon-polaron modes resulting from the hybridization of the spin fluctuations and the low-energy optical phonons. The observed magnetoelastic coupling agrees with the previously found negative thermal expansion in this compound and resembles the features reported in the spectroscopic studies of other antiferromagnets with similar noncollinear spin structures.
Смотреть статью,
Scopus,
WOS,
Читать в сети ИФ
Найти похожие