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Calculation and Comparison of Electronic, Vibrational, Polarization, and Magnetic Properties of Double Perovskites CaMnTi2O6 and CaFeTi2O6 / N. D. Andryushin, V. I. Zinenko, M. S. Pavlovskii, A. S. Shinkorenko // J. Exp. Theor. Phys. - 2019. - Vol. 129, Is. 6. - P. 1036-1044, DOI 10.1134/S1063776119110013. - Cited References: 18. - This work was supported by the Russian Foundation for Basic Research (project no. 18-02-00130-a) . - ISSN 1063-7761
Кл.слова (ненормированные):
Antiferromagnetism -- Crystal lattices -- Density functional theory -- Electronic properties -- Ferroelectricity -- Ground state -- Iron compounds -- Perovskite -- Spin polarization
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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Публикация на русском языке Расчет и сравнение электронных, колебательных, поляризационных и магнитных свойств двойных перовскитов CaMnTi2O6 и CaFeTi2O6 [Текст] / Н. Д. Андрюшин [и др.] // Журн. эксперим. и теор. физ. - 2019. - Т. 156 Вып. 6. - С. 1137-1146

Держатели документа:
Kirensky Institute of Physics, Federal Research Center “Krasnoyarsk Scientific Center,” Siberian Branch,Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич
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    Exprerimental and theoretical study of the cation and magnetic ordering in NixCo3-xB2O6 / S. N. Sofronova, M. S. Pavlovskii, A. Chernyshov [et al.] // 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. - Cited References: 3. - РНФ № 23-12-20012 ; Красноярский регион. фонд науки . - ISBN 978-5-00202-320-2
   Перевод заглавия: Теоретическое и экспериментальное исследование катионного и магнитного упорядочения в NixCo3-xB2O6

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Держатели документа:
L.V. Kirensky Institute of Physics SB RAS

Доп.точки доступа:
Ovchinnikov, S. G. \int. adv. com.\; Овчинников, Сергей Геннадьевич; Sofronova, S. N.; Софронова, Светлана Николаевна; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Chernyshov, A.; Moshkina, E. M.; Мошкина, Евгения Михайловна; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Samarkand International Symposium on Magnetism(2023 ; July 2-6 ; Samarkand); Samarkand State University
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Features of the melt–solution synthesis of the TbCr3(BO3)4 single crystals / I. A. Gudim, N. V. Mikhashenok, A. D. Vasiliev [et al.] // J. Cryst. Growth. - 2024. - Vol. 637-638. - Ст. 127716, DOI 10.1016/j.jcrysgro.2024.127716. - 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 Sciences. - This 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 . - ISSN 0022-0248. - ISSN 1873-5002
Кл.слова (ненормированные):
Growth from melt-solution -- Single crystal growth -- Cromium borates -- Rare-earth compounds -- Oxides -- Magnetic materials
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.

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036 Russia

Доп.точки доступа:
Gudim, I. A.; Гудим, Ирина Анатольевна; Mikhashenok, N. V.; Михашенок, Наталья Владимировна; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Melnikova, S. V.; Мельникова, Светлана Владимировна; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Skorobogatov, S. A.; Скоробогатов, Станислав Алексеевич; Pankrats, A. I.; Панкрац, Анатолий Иванович
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Ferroelectric and structural instability in double perovskites Me1+Bi3+Me3+Nb5+O6 (Me1+ = Na, K, Rb; Me3+ = Sc, Ga, In, Lu) / V. I. Zinenko [et al.] // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 6. - P. 955-962, DOI 10.1134/S1063776112040188. - 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). . - ISSN 1063-7761

РУБ Physics, Multidisciplinary

Аннотация: Within the Gordon-Kim generalized model with regard to the polarizabilities of ions, the lattice constants, the high-frequency permittivity, the Born dynamic charges, and the vibration constants of the crystal lattice are calculated for cation-ordered double perovskites Me1+Bi3+Me3+Nb5+O6. The vibration spectra of all the compounds exhibit two types of instabilities: instability associated with the rotation of the oxygen octahedron and ferroelectric instability. Various combinations of distortions with respect to the rotation mode yield five energetically most favorable distorted phases. The symmetry and the energy characteristics of these phases are discussed. In four of the five phases, the distortions associated with the oxygen octahedron rotation lead to polar phases, thus allowing one to speak of improper ferroelectricity in these compounds. One phase turns out to be nonpolar; however, it contains unstable polar modes such that a displacement along the eigenvectors of these modes gives rise to polarization in the crystal.

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Публикация на русском языке Сегнетоэлектрическая и структурная неустойчивости в двойных перовскитах Me1+Bi3+Me3+Nb5+O6 (Me1+ = Na, K, Rb; Me3+ = Sc, Ga, In, Lu) [Текст] / В. И. Зиненко [и др.] // Ж. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 6. - С. 1093-1101

Держатели документа:
[Zinenko, V. I.
Zamkova, N. G.
Zhandun, V. S.
Pavlovskii, M. S.] Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Pavlovskii, M. S.; Павловский, Максим Сергеевич
}
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Heat capacity of scandoborate NdSc3(BO3)4 / E. V. Eremin, N. D. Andryushin, I. A. Gudim [et al.] // Phys. Solid State. - 2022. - Vol. 64, Is. 14. - P. 2435-2438, DOI 10.21883/PSS.2022.14.54353.188. - 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) . - ISSN 1063-7834. - ISSN 1090-6460
Кл.слова (ненормированные):
crystal growth -- magnetoelectrics -- heat capacity -- Schottky anomaly
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.

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Публикация на русском языке Теплоемкость скандобората NdSc3(BO3)4 [Текст] / Е. В. Еремин, Н. Д. Андрюшин, И. А. Гудим [и др.] // Физ. тверд. тела. - 2021. - Т. 63 Вып. 12. - С. 2226-2229

Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB, Russian Academy of Sciences, Krasnoyarsk, Russia
Siberian Federal University, Krasnoyarsk, Russia
Siberian State University of Science and Technology, Krasnoyarsk, Russia

Доп.точки доступа:
Eremin, E. V.; Еремин, Евгений Владимирович; Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Gudim, I. A.; Гудим, Ирина Анатольевна; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Titova, V. R.; Титова, Вероника Романовна
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Inclined magnetic structures and magnetic phase diagrams for the Pb2Fe2−xMnxGe2O9 (x = 0.16) single crystal / A. I. Pankrats, A. D. Balaev, S. A. Skorobogatov [et al.] // J. Magn. Magn. Mater. - 2022. - Vol. 563. - Ст. 170021, DOI 10.1016/j.jmmm.2022.170021. - 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 . - ISSN 0304-8853
Кл.слова (ненормированные):
Antiferromagnetics -- Antiferromagnets -- Applied magnetic fields -- Field change -- Magnetic phase diagrams -- Specific heat measurement -- Spins reorientation transition -- Structures phase -- Synthesised
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.

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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Petersburg Nuclear Physics Institute, National Research Center “Kurchatov Institute”, Gatchina, 188300, Russian Federation

Доп.точки доступа:
Pankrats, A. I.; Панкрац, Анатолий Иванович; Balaev, A. D.; Балаев, Александр Дмитриевич; Skorobogatov, S. A.; Скоробогатов, Станислав Алексеевич; Krasikov, A. A.; Красиков, Александр Александрович; Kolkov, M. I.; Колков, Максим Игоревич; Zharkov, S. M.; Жарков, Сергей Михайлович; Zeer, G. M.; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Balaev, D. A.; Балаев, Дмитрий Александрович
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    Lattice dynamics in the double-helix antiferromagnet FeP / A. S. Sukhanov, S. E. Nikitin, M. S. Pavlovskii [et al.] // Phys. Rev. Research. - 2020. - Vol. 2, Is. 4. - Ст. 043405, DOI 10.1103/PhysRevResearch.2.043405. - 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 . - ISSN 2643-1564
   Перевод заглавия: Динамика решетки в двухспиральном антиферромагнетике FeP
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.

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Держатели документа:
Max Planck Institute for Chemical Physics of Solids, D-01187 Dresden, Germany
Institut für Festkörper- und Materialphysik, Technische Universität Dresden, D-01069 Dresden, Germany
Paul Scherrer Institute (PSI), CH-5232 Villigen, Switzerland
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Department of Physics, University of Colorado at Boulder, Boulder, Colorado 80309, USA
ISIS Facility, STFC, Rutherford Appleton Laboratory, Didcot, Oxfordshire OX11-0QX, United Kingdom
Leibniz Institute for Solid State and Materials Research Dresden, D-01069 Dresden, Germany
Lomonosov Moscow State University, 119991 Moscow, Russia
Würzburg-Dresden Cluster of Excellence on Complexity and Topology in Quantum Matter — ct.qmat, TU Dresden, D-01069 Dresden, Germany

Доп.точки доступа:
Sukhanov, A. S.; Nikitin, S. E.; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Sterling, T. C.; Andryushin, N. D.; Андрюшин, Никита Дмитриевич; Cameron, A. S.; Tymoshenko, Y. V.; Walker, H. C.; Morozov, I. V.; Chernyavskii, I. O.; Aswartham, S.; Reznik, D.; Inosov, D. S.
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Magnon-polaron excitations in the noncollinear antiferromagnet Mn3Ge / A. S. Sukhanov [et al.] // Phys. Rev. B. - 2019. - Vol. 99, Is. 21. - Ст. 214445, DOI 10.1103/PhysRevB.99.214445. - 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." . - ISSN 2469-9950. - ISSN 2469-9969

РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics,
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.

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Держатели документа:
Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany.
Tech Univ Dresden, Inst Festkorper & Mat Phys, D-01069 Dresden, Germany.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Univ Paris Saclay, CEA Saclay, CNRS, Lab Leon Brillouin,CEA, F-91191 Gif Sur Yvette, France.
Rutherford Appleton Lab, STFC, ISIS Facil, Didcot OX11 0QX, Oxon, England.

Доп.точки доступа:
Sukhanov, A. S.; Pavlovskii, M. S.; Павловский, Максим Сергеевич; Bourges, P.h.; Walker, H. C.; Manna, K.; Felser, C.; Inosov, D. S.; 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]
}
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Pavlovskii, M. S.
Band structure, lattice dynamics and magnetoelectric properties of double perovskite La2CuTiO6 / M. S. Pavlovskii, A. S. Shinkorenko, V. I. Zinenko // 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
Кл.слова (ненормированные):
lattice dynamics -- magnetoelectrics

Доп.точки доступа:
Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич; Zinenko, V. I.; Зиненко, Виктор Иванович; Павловский, Максим Сергеевич; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН

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10.

Pavlovskii, M. S.
Calculating the Lattice Dynamics in the RFe3(BO3)4 Crystals in the Quasi-Harmonic Approximation / M. S. Pavlovskii, N. D. Andryushin // Phys. Solid State. - 2019. - Vol. 61, Is. 11. - P. 2019-2025, DOI 10.1134/S106378341911026X. - Cited References: 14. - This study was supported by the Russian Science Foundation, project no. 17-72-10122. . - ISSN 1063-7834
Кл.слова (ненормированные):
lattice dynamics -- structural instability -- ab initio calculations -- phase transitions
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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Публикация на русском языке

Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Andryushin, N. D.; Павловский, Максим Сергеевич
}
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