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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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Peschanskii, A. V.
Raman scattering in multiferroic SmFe3(BO3)4 / A. V. Peschanskii, V. I. Fomin, I. A. Gudim // Low Temp. Phys. - 2016. - Vol. 42, Is. 6. - P. 475-483, DOI 10.1063/1.4954783. - Cited References:21 . - ISSN 1063-777X. - ISSN 1090-6517

РУБ Physics, Applied
Рубрики:
SINGLE-CRYSTALS
   MAGNETOELASTIC PROPERTIES
   PHASE-TRANSITIONS
   FERROBORATE
   PHONONS
Аннотация: Raman spectrum of single-crystal SmFe3(BO3)4 was studied in the frequency range from 3 to 1500 cm−1 at temperatures 10–300 K. All the A 1 and E phonon modes predicted by the group theory for a given symmetry of the crystal were observed. The magnitudes of splitting between the LO and TO components of polar E phonons were determined. It was found that under the transition to a magnetically ordered phase, the behavior of the intensity of the line corresponding to the A 1 vibrational mode is anomalous. It was shown that at low temperatures the spectrum of two-magnon excitations has a complex shape and is observed with both nondiagonal and diagonal components of the scattering tensor. This complex shape reflects the features in the density of states of the magnetic branches. An estimate of the magnon energy Em at the Brillouin zone boundary gave ∼47 cm−1. The structure of the ground multiplet 6 H 5/2 of a Sm+3 ion in paramagnetic and antiferromagnetic states as well as the effect of the magnetic phase transition on it were studied. Electron-phonon interaction for the electronic excitation at 225 cm−1 was revealed.

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Публикация на русском языке Песчанский А. В. Рамановское рассеяние света в мультиферроике SmFe3(BO3)4 [Текст] / А. В. Песчанский, В. И. Фомин, И. А. Гудим // Физ. низких температур. - Харьков : Физико-технический институт низких температур им. Б.И. Веркина Национальной академии наук Украины, 2016. - Т. 42 Вып. 6. - С. 607-618

Держатели документа:
Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, 47 Nauki Ave, UA-61103 Kharkov, Ukraine.
Russian Acad Sci, Siberian Branch, LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Fomin, V. I.; Gudim, I. A.; Гудим, Ирина Анатольевна
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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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