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Makarov, I. A.
Effect of electron-phonon interaction on the doping and temperature depended spectral function in cuprates / I. A. Makarov, S. G. Ovchinnikov // Superstripes 2017 : [absrtacts] / ed. A. Bianconi : Superstripes press, 2017. - Ст. 37.1. - P. 206. - (Science Series ; Vol. 11) . - ISBN 9788866830696
Аннотация: The generalized tight binding (GTB) method to calculate the electronic structure of strongly correlated electrons in cuprates is modified to incorporate also strong electronphonon interaction. By exact diagonalization of the p-d- Holstain model Hamiltonian for a separate CuO6 unit cell we find the multelectron and multiphonon local eigenstates that are used to construct a set of local Hubbard operators. Then we treat the intercell electron hopping t by the perturbation approach over small ratio t/U, where U is the charge transfer excitation energy. Without electron-phonon interaction we obtain the band of spin polaron and a set of local multiphonon Franck-Condon excitations. The electron-phonon interaction results in the hybridization of spin polaron and Franck Condon excitations that forms the polaronic band structure with strong temperature dependence. The temperature dependence of the polaronic band structure and Fermi surface is discussed. The peak of a spectral function at the top of the valence band has large width typical to the ARPES data and determined by a large number of the multiphonon excitations.

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Доп.точки доступа:
Bianconi, A. \ed.\; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Макаров, Илья Анатольевич; International Conference on Quantum in Complex Matter: Superconductivity, Magnetism and Ferroelectricity(2017 ; June 5-10 ; Ischia, Italy); Superstripes 2017. Quantum in Complex Matter: Superconductivity, Magnetism and Ferroelectricity(2017 ; June 5-10 ; Ischia, Italy)
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Observation of soft phonon mode in TbFe3(BO3)4 by inelastic neutron scattering / M. S. Pavlovskiy [et al.] // Phys. Rev. B. - 2018. - Vol. 97, Is. 5. - Ст. 054313, DOI 10.1103/PhysRevB.97.054313. - Cited References:40. - This research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by Oak Ridge National Laboratory. L.S.W. was supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US DOE. The work was funded by RFBR, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund according to Research Project No. 16-42-243039. . - ISSN 2469-9950. - ISSN 2469-9969

РУБ Physics, Condensed Matter
Рубрики:
STRUCTURAL PHASE-TRANSITIONS
SINGLE-CRYSTAL
SPECTROSCOPY
Аннотация: The phonon dispersion in terbium iron borate TbFe3(BO3)4 has been measured by inelastic neutron scattering in a temperature range 180˂T˂350 K through the displacive structural transition at TS=192.5K and studied by ab initio calculations. Significant, but not complete, softening of the transverse acoustic (TA) branch has been observed at the corner of the Brillouin zone (Λ point) at temperatures T⪆TS, in full agreement with theoretical calculations. The TA soft mode undergoes considerable broadening at the Λ point near the transition temperature that can be attributed to the anharmonic interference between transverse acoustic and optical modes.

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Держатели документа:
Kirensky Inst Phys, Fed Res Ctr, Krasnoyarsk 660036, Russia.
Oak Ridge Natl Lab, Neutron Scattering Div, Oak Ridge, TN 37831 USA.
Oak Ridge Natl Lab, Neutron Technol Div, Oak Ridge, TN 37831 USA.

Доп.точки доступа:
Pavlovskiy, M. S.; Павловский, Максим Сергеевич; Shaykhutdinov, K. A.; Шайхутдинов, Кирилл Александрович; Wu, L. S.; Ehlers, G.; Temerov, V. L.; Темеров, Владислав Леонидович; Gudim, I. A.; Гудим, Ирина Анатольевна; Shinkorenko, A. S.; Шинкоренко, Алексей Сергеевич; Podlesnyak, A.; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; RFBR, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243039]
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Makarov, I. A.
Temperature dependent polaronic band structure in the 3band P-D model with strong electron-phonon interaction / I. A. Makarov, S. G. Ovchinnikov, E. I. Shneyder // Moscow International Symposium on Magnetism (MISM-2017) : 1-7 July 2017 : book of abstracts. - 2017. - Ст. 4TL-P-1. - P. 696

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Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Shneyder, E. I.; Шнейдер, Елена Игоревна; Макаров, Илья Анатольевич; Moscow International Symposium on Magnetism(7 ; 2017 ; Jul. ; Moscow); Московский государственный университет им. М.В. Ломоносова; Российский фонд фундаментальных исследований
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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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Ovchinnikov, S. G.
Multiphonon contribution to the polaron formation in cuprates with strong electron correlations and strong electron-phonon interaction / S. G. Ovchinnikov, I. A. Makarov, P. A. Kozlov // Proceedings of SPIE - The International Society for Optical Engineering : SPIE, 2017. - Vol. 10105, DOI 10.1117/12.2266799. - Cited References: 17. - Authors are thankful to Russian Science Foundation (project No. 14-12-00061) for financial support.
Кл.слова (ненормированные):
High-temperature superconductivity -- Cuprates -- Strong electronic correlations -- Cluster form of perturbation theory -- Hubbard operator -- Three-band p-d model -- Electron-phonon interaction -- Polaron -- Franck-Condon broadening
Аннотация: In this work dependences of the electron band structure and spectral function in the HTSC cuprates on magnitude of electron-phonon interaction (EPI) and temperature are investigated. We use three-band p-d model with diagonal and offdiagonal EPI with breathing and buckling phonon mode in the frameworks of polaronic version of the generalized tight binding (GTB) method. The polaronic quasiparticle excitation in the system with EPI within this approach is formed by a hybridization of the local multiphonon Franck-Condon excitations with lower and upper Hubbard bands. Increasing EPI leads to transfer of spectral weight to high-energy multiphonon excitations and broadening of the spectral function. Temperature effects are taken into account by occupation numbers of local excited polaronic states and variations in the magnitude of spin-spin correlation functions. Increasing the temperature results in band structure reconstruction, spectral weight redistribution, broadening of the spectral function peak at the top of the valence band and the decreasing of the peak intensity. The effect of EPI with two phonon modes on the polaron spectral function is discussed. © 2017 SPIE.

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Доп.точки доступа:
Makarov, I. A.; Макаров, Илья Анатольевич; Kozlov, P. A.; Козлов, Пётр Александрович; Овчинников, Сергей Геннадьевич; Oxide-Based Materials and Devices(8 ; 2017 ; 29 Jan. - 1 Feb.)
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    The anisotropic thermal expansion of non-linear optical crystal BaAlBO3F2 below room temperature / X. X. Jiang [et al.] // Front. Chem. - 2018. - Vol. 6. - Ст. 252, DOI 10.3389/fchem.2018.00252. - Cited References: 31. - This work was supported by the National Scientific Foundations of China (Grants 11474292, 51702330, 11611530680, 91622118, and 91622124), Russian Foundation for Basic Research (Grant 17-52-53031), the Special Foundation of the Director of Technical Institute of Physics and Chemistry (TIPC) and the Youth Innovation Promotion Association, CAS (outstanding member for ZL and Grant 2017035 for XJ). . - ISSN 2296-2646
   Перевод заглавия: Анизотропное тепловое расширение ниже комнатной температуры нелинейнооптического кристалла BaAlBO3F2

РУБ Chemistry, Multidisciplinary
Рубрики:
LASER
   GENERATION
   PSEUDOPOTENTIALS
   COEFFICIENTS
   YAG
Кл.слова (ненормированные):
BABF -- anisotropic thermal expansion -- phonon stimulation -- NLO optical -- property -- low temperature
Аннотация: Thermal expansion is a crucial factor for the performance of laser devices, since the induced thermal stress by laser irradiation would strongly affect the optical beam quality. For BaAlBO3F2 (BABF), a good non-linear optical (NLO) crystal, due to the highly anisotropic thermal expansion its practical applications are strongly affected by the “tearing” stress with the presence of local overheating area around the laser spot. Recently, the strategy to place the optical crystals in low-temperature environment to alleviate the influence of the thermal effect has been proposed. In order to understand the prospect of BABF for this application, in this work, we investigated its thermal expansion behavior below room temperature. The variable-temperature XRD showed that the ratio of thermal expansion coefficient between along c- and along a(b)- axis is high as 4.5:1 in BABF. The Raman spectrum combined with first-principles phonon analysis revealed that this high thermal expansion anisotropy mainly ascribe to progressive stimulation of the respective vibration phonon modes related with the thermal expansion along a(b)- and c-axis. The good NLO performance in BABF can be kept below room temperature. The work presented in this paper provides an in-depth sight into the thermal expansion behavior in BABF, which, we believe, would has significant implication to the manipulation in atomic scale on the thermal expansion of the materials adopted in strong-field optical facility.

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Держатели документа:
Chinese Acad Sci, Tech Inst Phys & Chem, Beijing, Peoples R China.
Univ Chinese Acad Sci, Beijing, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk, Russia.
Siberian Fed Univ, Dept Engn Phys & Radioelect, Krasnoyarsk, Russia.
Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Cryogen, Beijing, Peoples R China.
Tianjin Univ Technol, Inst Funct Crystals, Tianjin, Peoples R China.

Доп.точки доступа:
Jiang, Xingxing; Wang, Naizheng; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, Wei; Guo, Shibin; Huang, Rongjin; Li, Laifeng; Hu, Zhanggui; Lin, Zheshuai
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    Oreshonkov, A. S.
    New candidate to reach Shockley–Queisser limit: The DFT study of orthorhombic silicon allotrope Si(oP32) / A. S. Oreshonkov, E. M. Roginskii, V. V. Atuchin // J. Phys. Chem. Solids. - 2020. - Vol. 137. - Ст. 109219, DOI 10.1016/j.jpcs.2019.109219. - Cited References: 44. - The authors are grateful for the support from RFBR , according to the research projects 18-03-00750 and 18-32-20011 . The computations were performed using the facilities of the Computational Center of the Research Park of St. Petersburg State University. This study was also supported by the Russian Science Foundation (project 19-42-02003 , in part of conceptualization). . - ISSN 0022-3697
   Перевод заглавия: Новый кандидат для достижения предела Шокли-Квайссера: ДФТ исследование орторомбического аллотропа кремния Si(oP32)
Кл.слова (ненормированные):
Silicon -- Allotrope -- Shockley–Queisser limit -- DFT -- Phonon
Аннотация: In the present study, the unit cell parameters and atomic coordinates are predicted for the Pbcm orthorhombic structure of Si(oP32) modification. This new allotrope of silicon is mechanically stable and stable with respect to the phonon states. The electronic structure of Si(oP32) is calculated for LDA and HSE06 optimized structures. The band gap value Eg = 1.361 eV predicted for Si(oP32) is extremely close to the Shockley–Queisser limit and it indicates that the Si(oP32) modification is a promising material for efficient solar cells. The frequencies of Raman and Infrared active vibrations is calculated for allotrope Si(oP32).

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Spectroscopy of Solid State, Ioffe Institute, St. Petersburg, 194021, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, 634050, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovom, 650000, Russian Federation

Доп.точки доступа:
Roginskii, E. M.; Atuchin, V. V.; Орешонков, Александр Сергеевич
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Soft modes in HoFe2.5Ga0.5(BO3)4 solid solution / A. Krylov, S. Krylova, I. Gudim, A. Vtyurin // Ferroelectrics. - 2020. - Vol. 556, Is. 1. - P. 16-22, DOI 10.1080/00150193.2020.1713334. - Cited References: 14. - This work was supported by the Russian Foundation for Basic Research Grant No 1802-00754. . - ISSN 0015-0193. - ISSN 1563-5112

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
RAMAN-SCATTERING
SPECTRA
HO1-XNDXFE3(BO3)(4)
Кл.слова (ненормированные):
Soft modes -- low temperatures -- phonon-magnon interaction -- magnetic ordering -- huntite
Аннотация: The condensation of two soft modes has been found when studying the Raman spectra of the solid solution HoFe2.5Ga0.5(BO3)4 in the temperature range from 7 to 350 K. The first high-temperature soft mode is associated with the structural phase transition from the R32 phase to the P3121 phase. The second soft mode is related to the reveal of the phonon-magnon interaction during magnetic ordering in the crystal. The temperatures of the structural phase transition T1 = 266 K and the magnetic phase transition T2 = 28 K are established. Experimentally interaction between the structural phase transition order parameter fluctuations and the magnetic order parameter fluctuations was found.

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Держатели документа:
RAS, Kirensky Inst Phys, FRC, KSC,SB, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Gudim, I. A.; Гудим, Ирина Анатольевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Russian Foundation for Basic Research GrantRussian Foundation for Basic Research (RFBR) [1802-00754]; European Meeting on Ferroelectricity(14 ; 2019 ; 14-19 July ; Lausanne, Switzerland)
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    Generalisation of phonon confinement model for interpretation of Raman line-shape from nano-silicon / M. Tanwar [et al.] // Adv. Mater. Process. Technol. - 2018. - Vol. 4, Is. 2. - P. 227-233, DOI 10.1080/2374068X.2017.1413527. - Cited References: 32. - This work was supported by the Department of Science and Technology (DST), Government of India; Science and Engineering Research Board. . - ISSN 2374-068X
   Перевод заглавия: Обобщение модели конфаймента фононов для интерпретации формы контура в спектрах КР от нанокремния
Кл.слова (ненормированные):
silicon nanomaterial -- Raman line-shape -- phonon -- quantum confinement
Аннотация: A comparative analysis of two Raman line-shape functions has been carried out to validate the true representation of experimentally observed Raman scattering data for semiconducting nanomaterials. A modified form of already existing phonon confinement model (PCM) incorporates two basic considerations, phonon momentum conservation and shift in zone centre phonon frequency. After incorporation of the above mentioned two factors, a rather symmetric Raman line-shape is generated which is in contrary to the usual asymmetric Raman line-shapes obtained from nanostructured semiconductor. By fitting an experimentally observed Raman scattering data from silicon nanostructures, prepared by metal induced etching, it can be established that the Raman line-shape obtained within the framework of PCM is a true representative Raman line-shape of sufficiently low dimensions semiconductors.

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Держатели документа:
Material Research Laboratory, Discipline of Physics & MEMS, Indian Institute of Technology Indore, Simrol, India
National Institutes for Nanotechnology, University of Alberta, Edmonton, Canada
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Tanwar, Manushree; Yogi, Priyanka; Lambora, Simran; Mishra, Suryakant; Saxena, Shailendra K.; Sagdeo, Pankaj R.; Krylov, A. S.; Крылов, Александр Сергеевич; Kumar, Rajesh
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10.

    Influence of the diagonal and off-diagonal electron-phonon interactions on the formation of local polarons and their band structure in materials with strong electron correlations / E. I. Shneyder [et al.] // J. Exp. Theor. Phys. - 2018. - Vol. 126, Is. 5. - P. 683-698, DOI 10.1134/S1063776118050059. - Cited References: 58. - We are grateful to V.I. Zinenko and V.A. Gavrichkov for useful discussions. This work was financially supported by the Russian Foundation for Basic Research (project no. 16-02-00098) and the Basic Research Program no. 12 of the Presidium of the Russian Academy of Sciences ("Fundamental Problems of High-Temperature Superconductivity"). . - ISSN 1063-7761. - ISSN 1090-6509
Рубрики:
HIGH-TEMPERATURE SUPERCONDUCTORS
   D-WAVE SUPERCONDUCTIVITY
   LATTICE
Аннотация: For systems with strong electron correlations and strong electron–phonon interaction, we analyze the electron–phonon interaction in local variables. The effects of the mutual influence of electron–electron and electron–phonon interactions that determine the structure of local Hubbard polarons are described. Using a system containing copper–oxygen layers as an example, we consider the competition between the diagonal and off-diagonal interactions of electrons with the breathing mode as the polaron band structure is formed within a corrected formulation of the polaron version of the generalized tight-binding method. The band structure of Hubbard polarons is shown to depend strongly on the temperature due to the excitation of Franck–Condon resonances. For an undoped La2CuO4 compound we have described the evolution of the band structure and the spectral function from the hole dispersion in an antiferromagnetic insulator at low temperatures with the valence band maximum at point (π/2, π/2) to the spectrum with the maximum at point (π, π) typical for the paramagnetic phase. The polaron line width at the valence band top and its temperature dependence agree qualitatively with angle-resolved photoemission spectroscopy for undoped cuprates.

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Публикация на русском языке Влияние диагонального и недиагонального электрон-фононных взаимодействий на формирование локальных поляронов и их зонной структуры в веществах с сильными электронными корреляциями [Текст] / Е. И. Шнейдер [и др.] // Журн. эксперим. и теор. физ. - 2018. - Т. 153 Вып. 5. - С. 820-837

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Fed Res Ctr, Krasnoyarsk Sci Ctr,Siberian Branch, Akad Gorodok 50, Krasnoyarsk 660036, Russia.
Federal State Autonomous Higher-Education Enterprise Siberian Federal University, pr. Svobodnyi 79, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shneyder, E. I.; Шнейдер, Елена Игоревна; Makarov, I. A.; Макаров, Илья Анатольевич; Zotova, M. V.; Зотова, Мария Владимировна; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Russian Foundation for Basic Research [16-02-00098]; Basic Research Program of the Presidium of the Russian Academy of Sciences [12]
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