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ZEIN, N. E.
ABINITIO CALCULATIONS OF PHONON FREQUENCIES AND DIELECTRIC-CONSTANTS IN A(4)B(6) COMPOUNDS / N. E. ZEIN, V. I. ZINENKO, A. S. FEDOROV // Phys. Lett. A. - 1992. - Vol. 164, Is. 1. - P. 115-119, DOI 10.1016/0375-9601(92)90916-A. - Cited References: 20 . - ISSN 0375-9601

РУБ Physics, Multidisciplinary
Рубрики:
IV-VI COMPOUNDS
CRYSTAL-STRUCTURE
Аннотация: The transverse and longitudinal optical frequencies at q = 0, the dielectric constant and the effective charges are calculated for the A4B6 type family of the semiconducting compounds GeTe, SnTe and PdTe. The calculations are performed in the framework of the density functional method with the use of the norm-conserving "first-principles" pseudopotentials. The estimated ferroelectric phase transition temperatures and a number of other calculated quantities turned out to be in good agreement with the experimental data. The variations of the electronic structure in the row PbTe-GeTe, which promote the ferroelectric phase transition for GeTe, are discussed.

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Держатели документа:
LV KIRENSKY PHYS INST,KRASNOYARSK 660036,USSR
ИФ СО РАН

Доп.точки доступа:
ZINENKO, V. I.; Зиненко, Виктор Иванович; FEDOROV, A. S.; Федоров, Александр Семенович
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BCS-type Theory for the Sum of Magnetic and Phonon Coupling in high-Tc Cuprates / E. Shneyder, S. Ovchinnikov // 18th International Conference on Magnetism (ICM-2009). - 2009. - Ст. Mo-A-5.1-03

Доп.точки доступа:
Shneyder, E.; Ovchinnikov, S.; International Conference on Magnetism(18 ; 2009 ; July 26-31 ; Karlsruhe, Germany)
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Bifurcations observed in the spectra of coupled electron-phonon modes in multiferroic PrFe3(BO3)4 subjected to a magnetic field / K. N. Boldyrev [et al.]. - Electronic text data // ArXiv. - 2016. - Ст. 1609.02125. - Cited References: 19. - This research was supported by the Russian Scientific Foundation under Grant No 14-12-01033, the President of Russian Federation (MK-3521-2015.2, K.N.B.), and the U.S. Department of Energy under Grant No DE-FG02-07ER46382 (experiments at U4-IR beamline NSLS-BNL, T.N.S. and A.A.S.). The National Synchrotron Light Source is operated as a User Facility for he U.S. Department of Energy under Contract No. DE-AC02-98CH10886. Part of this work was supported by EMFL (contract No. 26211). M.N.P. thanks B.Z. Malkin helpful discussions.
Аннотация: We report on bifurcations effect mediated by the electron-phonon coupling in a concentrated rare-earth-containing antiferromagnet, observed in the spectra of coupled 4f-electron-phonon modes under the influence of an external magnetic field. The effect was observed in the low-temperature far-infrared (terahertz) reflection spectra of a multiferroic easy-axis antiferromagnet PrFe3(BO3)4 in magnetic fields Bext||c. Both paramagnetic and magnetically ordered phases (including a spin-flop one) were studied in magnetic fields up to 30 T. We show that the field behavior of the coupled modes can be successfully explained and modeled on the base of the equation derived in the frame of the theory of coupled electron-phonon modes, with the same field-independent electron-phonon interaction constant |W|=14.8cm−1.

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Держатели документа:
Institute of Spectroscopy, Russian Academy of Sciences, 108840 Troitsk, Moscow, Russia
Department of Physics, New Jersey Institute of Technology, 07102 Newark, New Jersey, USA
High Field Magnet Laboratory (HFML-EMFL), Radboud University, 6525 ED Nijmegen, Netherlands
Kirenskiy Institute of Physics, Siberian Branch of RAS, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Boldyrev, K. N.; Stanislavchuk, T. N.; Sirenko, A. A.; Kamenskyi, D.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Popova, M. N.
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Bifurcations of coupled electron-phonon modes in an antiferromagnet subjected to a magnetic field / K. N. Boldyrev [et al.] // Phys. Rev. Lett. - 2017. - Vol. 118, Is. 16. - Ст. 167203, DOI 10.1103/PhysRevLett.118.167203. - Cited References: 26. - This research was supported by the Russian Scientific Foundation under Grant No. 14-12-01033, the President of Russian Federation (MK-3577.2017.2, K. N. B.), and the U.S. Department of Energy under Grant No. DE-FG02-07ER46382 (experiments at U4-IR beam line NSLS-BNL, T. N. S. and A. A. S.). The National Synchrotron Light Source is operated as a user facility for the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. Part of this work was supported by EMFL (Contract No. 26211). M. N. P. thanks B. Z. Malkin and A. V. Popov for helpful discussions. . - ISSN 0031-9007
Кл.слова (ненормированные):
Antiferromagnetic materials -- Bifurcation (mathematics) -- Electron-phonon interactions -- Electrons -- Magnetic fields -- Magnetism -- Temperature -- Antiferromagnetic crystals -- Bifurcation points -- Electron phonon couplings -- Electronic excitation -- External magnetic field -- Field independents -- Low temperatures -- Reflection spectra -- Phonons
Аннотация: We report on a new effect caused by the electron-phonon coupling in a stoichiometric rare-earth antiferromagnetic crystal subjected to an external magnetic field, namely, the appearance of a nonzero gap in the spectrum of electronic excitations in an arbitrarily small field. The effect was registered in the low-temperature far-infrared (terahertz) reflection spectra of an easy-axis antiferromagnet PrFe3(BO3)4 in magnetic fields Bext-c. Both paramagnetic and magnetically ordered phases (including a spin-flop one) were studied in magnetic fields up to 30 T, and two bifurcation points were observed. We show that the field behavior of the coupled modes can be successfully explained and modeled on the basis of the equation derived in the framework of the theory of coupled electron-phonon modes, with the same field-independent electron-phonon interaction constant |W|=14.8 cm-1. © 2017 American Physical Society.

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Держатели документа:
Institute of Spectroscopy, Russian Academy of Sciences, Troitsk, Moscow, Russian Federation
Department of Physics, New Jersey Institute of Technology, Newark, NJ, United States
High Field Magnet Laboratory (HFML-EMFL), Radboud University, Nijmegen, Netherlands
Kirenskiy Institute of Physics, Siberian Branch of RAS, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Boldyrev, K. N.; Stanislavchuk, T. N.; Sirenko, A. A.; Kamenskyi, D.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Popova, M. N.
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ZINENKO, V. I.
CALCULATION OF LONG-WAVELENGTH PHONON FREQUENCIES, OF DIELECTRIC PERMITTIVITY, AND B1-B2 PHASE-TRANSITIONS IN ALKALI-METAL HYDRIDES BY THE DENSITY-FUNCTIONAL TECHNIQUE / V. I. ZINENKO, A. S. FEDOROV // Fiz. Tverd. Tela. - 1994. - Vol. 36, Is. 5. - P. 1357-1365. - Cited References: 17 . - ISSN 0367-3294

РУБ Physics, Condensed Matter
Рубрики:
PRESSURE
ENERGY

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Доп.точки доступа:
FEDOROV, A. S.
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Krylova, S. N.
Calculation of the phonon spectrum of PbMnBO4 crystal using density functional theory / S. N. Krylova // Crystallogr. Rep. - 2023. - Vol. 68, Is. 5. - P. 788-796, DOI 10.1134/S1063774523600436. - Cited References: 31. - This study was supported by the Russian Foundation for Basic Research, project no. 21-52-12018 NNIO_а . - ISSN 1063-7745. - ISSN 1562-689X
Аннотация: The phonon dispersion and Raman spectrum of the PbMnBO4 ferromagnetic crystal have been calculated within the density functional theory. Imaginary phonon branches have been observed at the points Y, Z, and Г and along the X–S direction of the Brillouin zone, which indicates structural instability and a possible phase transition with variation in external factors (temperature and pressure). The shapes of vibrations and symmetry types of the normal modes of the crystal at the center of the Brillouin zone have been determined. The calculation results are compared with the experimental and theoretical spectra from other studies. It is shown that the vibrational mode of highest intensity at 692.5 cm–1 in the spectrum and the mode at 272.3 cm–1, corresponding to the experimental modes at 690.5 and 224.7 cm–1, are bending vibrations of oxygen atoms in distorted MnO6 octahedra.

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Публикация на русском языке Крылова, Светлана Николаевна. Расчет фононного спектра кристалла PbMnBo4 в рамках теории функционала плотности [Текст] / С. Н. Крылова. - 10 с. // Кристаллография. - 2023. - Т. 68 № 5. - С. 799-808

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

Доп.точки доступа:
Крылова, Светлана Николаевна
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Ovchinnikov, S. G.
Change of phonon attenuation at metal-dielectric transition / S. G. Ovchinnikov, A. N. Filonov // Fiz. Tverd. Tela. - 1980. - Vol. 22, Is. 2. - P. 328-331. - Cited References: 8 . - ISSN 0367-3294

РУБ Physics, Condensed Matter

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Доп.точки доступа:
Filonov, A. N.; Овчинников, Сергей Геннадьевич
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Contribution of the multiplicity fluctuation in the temperature dependence of phonon spectra of rare-earth cobaltites / Y. S. Orlov, A. E. Sokolov, V. A. Dudnikov [et al.] // Molecules. - 2020. - Vol. 25, Is. 18. - Ст. 4316, DOI 10.3390/molecules25184316. - Cited References: 34. - This work was supported by the Russian Science Foundation grant 18-02-00022. The scanning electron microscopy investigations were conducted in the SFU Joint Scientific Center, supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation. The other research was carried out at the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS” . - ISSN 1420-3049
Кл.слова (ненормированные):
Rare-earth cobalt oxides -- Multiplicity fluctuations -- Phonon spectra
Аннотация: We have studied, both experimentally and theoretically, the unusual temperature dependence of the phonon spectra in NdCoO3, SmCoO3 and GdCoO3, where the Co3+ ion is in the low-spin (LS) ground state, and at the finite temperature, the high-spin (HS) term has a nonzero concentration nHS due to multiplicity fluctuations. We measured the absorption spectra in polycrystalline and nanostructured samples in the temperature range 3–550 K and found a quite strong breathing mode softening that cannot be explained by standard lattice anharmonicity. We showed that the anharmonicity in the electron–phonon interaction is responsible for this red shift proportional to the nHS concentration.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Orlov, Yu. S.; Орлов, Юрий Сергеевич; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Shulga, K. V.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Shestakov, N. P.; Шестаков, Николай Петрович; Vysotin, M. A.; Высотин, Максим Александрович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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Makarov, I. A.
Cooperative effect of doping and temperature on the polaronic band structure in strongly correlated electron systems with strong electron-phonon interaction / I. A. Makarov, S. G. Ovchinnikov. - Electronic text data // ArXiv. - 2016. - Ст. 1612.02781. - Cited References: 22. - Authors are thankful to Russian Science Foundation (project No. 14-12-00061) for financial support.
Аннотация: In this work we investigate doping and temperature dependences of electronic structure of system with strong electronic correlations and strong electron-phonon interaction modeling cuprates in the frameworks of the three-band p-d-Holstein model by a polaronic version of the generalized tight binding (GTB) method. Within this approach the electronic structure is formed by polaronic quasiparticles constructed as excitations between initial and final polaronic multielectron states. Doping and temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Both effects are manifested in the reconstruction of band structure, Fermi contours, density of states and redistribution of the spectral weight over the Hubbard polaron subbands. Doping leads to transformation of Fermi contour from small hole pockets around k=(π/2,π/2) with inhomogeneous spectral weight distribution at small hole concentration to large contour around k=(π,π) in the overdoped compound as a result of two quantum phase transitions. In the system with phonon subsystem and EPI doping results in the top of the valence band splitting off and new polaron subbands appearance. Temperature increasing in the system with doped holes and moderate EPI leads to formation of the flatband around k=(π,π) and transfer of the spectral weight to the splitted off top of the valence band.

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Макаров, Илья Анатольевич
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10.

    Coupling between phonon and crystal-field excitations in multiferroic PrFe3(BO3)4 / K. N. Boldyrev [et al.] // Phys. Rev. B. - 2014. - Vol. 90, Is. 12. - Ст. 121101, DOI 10.1103/PhysRevB.90.121101. - Cited References: 35. - This research was supported by the Russian Scientific Foundation under Grant No. 14-12-01033, the President of Russian Federation (MK-1700.2013.2; K.N.B.), and the U.S. Department of Energy under Grant No. DE-FG02-07ER46382 (experiments at U4-IR beamline NSLS-BNL; T.N.S. and A.A.S.). The National Synchrotron Light Source is operated as a User Facility for the U.S. Department of Energy under Contract No. DE-AC02-98CH10886. M.N.P. thanks B. Z. Malkin for drawing her attention to the work [33] and for helpful discussions. . - ISSN 1098-0121. - ISSN 1550-235X
   Перевод заглавия: Взаимодействие между фононами и возбуждениями кристаллического поля в мультиферроике PrFe3(BO3)4

РУБ Physics, Condensed Matter
Рубрики:
MAGNETOELECTRIC PROPERTIES
GROUND-STATE
SM
Аннотация: Far-infrared reflection and ellipsometry measurements on multiferroic PrFe3(BO3)4 and SmFe3(BO3)4 single crystals were used to investigate the interaction between lattice phonons and electronic excitations associated with 4f crystal-field transitions. A temperature-dependent interference between two types of excitations was observed in PrFe3(BO3)4 in which the frequency of 4f crystal-field electronic excitation of Pr3+ falls into the TO-LO frequency interval of the optical phonon mode near 50 cm−1 (1.5 THz). Experimental data were explained on the basis of a theoretical model of coupled electron-phonon modes. The fitting procedure revealed the value 14.8 cm−1 for the electron-phonon coupling constant. This rather large value points to an essential role played by the electron-phonon interaction in the physics of multiferroics.

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Держатели документа:
RAS, Inst Spect, Troitsk 142190, Russia
New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA
RAS, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Boldyrev, K. N.; Stanislavchuk, T. N.; Sirenko, A. A.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Popova, M. N.; Russian Scientific Foundation [14-12-01033]; President of Russian Federation [MK-1700.2013.2]; U.S. Department of Energy [DE-FG02-07ER46382, DE-AC02-98CH10886]
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