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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.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Peschanskii A. V., Fomin V. I., Gudim I. A.
Заглавие : Raman scattering in multiferroic SmFe3(BO3)4
Место публикации : Low Temp. Phys.: American Institute of Physics, 2016. - Vol. 42, Is. 6. - P.475-483. - ISSN 1063-777X, DOI 10.1063/1.4954783. - ISSN 1090-6517(eISSN)
Примечания : Cited References:21
Предметные 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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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.
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