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    Tuning terahertz vibrations to control flexibility in soft porous crystals / A. E. J. Hoffman, J. Wieme, I. Senkovska [et al.] // 4th European conference on metal organic frameworks and porous polymers : Programme and book of abstracts. - 2021. - Ст. P-74 (S3P15). - Cited References: 7 . - ISBN 978-83-951195-7-6
   Перевод заглавия: Настройка терагерцовых колебаний для контроля гибкости мягких пористых кристаллов

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Доп.точки доступа:
Hoffman, A. E. J.; Wieme, J.; Senkovska, I.; Krylov, A. S.; Крылов, Александр Сергеевич; Rogge, S. M. J.; Kaskel, S.; Speybroeck, V. V.; European conference on metal organic frameworks and porous polymers(4 ; 2021 ; Sept. 13-15 ; Kraków, Poland (virtual))
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Ferromagnetic and spin-wave resonance in exchange-coupled NiFe/Ag/NiFe three-layer structures / R. S. Iskhakov [et al.] // TRENDS IN MAGNETISM. - 2011. - Vol. 168-169. - P69-72, DOI 10.4028/www.scientific.net/SSP.168-169.69 . - ISSN 1012-0394
Кл.слова (ненормированные):
acoustic mode -- exchange-coupled structures -- ferromagnetic resonance -- optic mode -- spin-wave resonance -- three-layer magnetic films -- ferromagnetic materials -- ferromagnetic resonance -- ferromagnetism -- magnetic devices -- magnetic films -- metallic films -- spin waves -- acoustics -- ferromagnetic materials -- ferromagnetic resonance -- ferromagnetism -- lattice vibrations -- multilayers -- resonance -- spin waves -- acoustic mode -- coupled structures -- optic mode -- spin-wave resonance -- three-layer -- exchange coupled -- exchange spin waves -- optic modes -- optical satellites -- resonance field -- spin wave resonances -- three-layer structures -- resonance -- magnetism
Аннотация: FMR and SWR spectra of exchange-coupled structures NiFe/Ag/NiFe have been investigated. We revealed that the optical satellites of the exchange spin-wave modes are characterized not by the standard Kittel-dependence but rather by their own resonance field dependence on the mode number: Hr opt(n)?n5/2.

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Держатели документа:
Kirensky Institute of Physics, Siberian Branch of RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Iskhakov, R. S.; Исхаков, Рауф Садыкович; Stolyar, S. V.; Yakovchuk, V. Yu.; Яковчук, Виктор Юрьевич; Chizhik, M. V.
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Oreshonkov, A. S.
Structural features of Y2O2SO4 via DFT calculations of electronic and vibrational properties / A. S. Oreshonkov, Y. G. Denisenko // Materials. - 2021. - Vol. 14, Is. 12. - Ст. 3246, DOI 10.3390/ma14123246. - Cited References: 44 . - ISSN 1996-1944
Кл.слова (ненормированные):
Yttrium oxysulfate -- DFT -- Lattice dynamics -- Infrared -- Raman -- Vibrations -- Y2O2SO4
Аннотация: The traditional way for determination of molecular groups structure in crystals is the X-Ray diffraction analysis and it is based on an estimation of the interatomic distances. Here, we report the analysis of structural units in Y2O2SO4 using density functional theory calculations of electronic properties, lattice dynamics and experimental vibrational spectroscopy. The Y2O2SO4 powder was successfully synthesized by decomposition of Y2(SO4)3 at high temperature. According to the electronic band structure calculations, yttrium oxysulfate is a dielectric material. The difference between the oxygen–sulfur and oxygen–yttrium bond nature in Y2O2OS4 was shown based on partial density of states calculations. Vibrational modes of sulfur ions and [Y2O22+] chains were obtained theoretically and corresponding spectral lines observed in experimental Infrared and Raman spectra.

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; Орешонков, Александр Сергеевич
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KIM, P. D.
INTERFERENCE OF ELASTIC-WAVES, EXCITED BY VIBRATIONS OF DOMAIN-WALLS / P. D. KIM, D. C. KHVAN // Zhurnal Tek. Fiz. - 1983. - Vol. 53, Is. 5. - P. 947-949. - Cited References: 10 . - ISSN 0044-4642

РУБ Physics, Applied

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Доп.точки доступа:
KHVAN, D. C.
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Structural, electronic and vibrational properties of LaF3 according to density functional theory and Raman spectroscopy / A. S. Oreshonkov [et al.] // J. Phys.: Condens. Matter. - 2018. - Vol. 30, Is. 25. - Ст. 255901, DOI 10.1088/1361-648X/aac452. - Cited References: 39. - The reported study was funded by RFBR according to the research project No. 17-52-53031 and 16-02-00102. It was partially supported by the Ministry of Education and Science of the Russian Federation and the 'Krasnoyarsky regional fund of scientific support and scientific-technical activity'. The computations were performed using facilities of the Computational Centre of the Research Park of St. Petersburg State University. . - ISSN 0953-8984. - ISSN 1361-648X

РУБ Physics, Condensed Matter
Рубрики:
CRYSTAL-STRUCTURE
   NEUTRON-DIFFRACTION
   NANOPARTICLES
   CONDUCTIVITY
Кл.слова (ненормированные):
LaF3 -- tysonite structure -- DFT -- electronic structure -- lattice vibrations -- Raman spectroscopy
Аннотация: Crystal structure of LaF3 single crystal is refined in tysonite-type trigonal unit cell P c1 using density functional theory calculations and Raman spectroscopy. It is shown that trigonal structure with P c1 space group is more energy-efficient than hexagonal structure with space group P63 cm. Simulated Raman spectra obtained using LDA approximation is in much better agreement with experimental data than that obtained with PBE and PBEsol functionals of GGA. The calculated frequency value of silent mode B 2 in case of hexagonal structure P63 cm was found to be imaginary (unstable mode), thus the energy surface obtains negative curvature with respect to the corresponding normal coordinates of the mode which leads to instability of the hexagonal structure in harmonic approximation. The A 1g line at 214 cm−1 in Raman spectra of LaF3 related to the translation of F2 ions along c axis can be connected with F2 ionic conductivity.

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Держатели документа:
RAS, SB, KSC, Fed Res Ctr,Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660079, Russia.
Ioffe Inst, St Petersburg 194021, Russia.

Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Roginskii, E. M.; Krylov, A. S.; Крылов, Александр Сергеевич; Ershov, A. A.; Ершов, Александр Андреевич; Voronov, V. N.; Воронов, Владимир Николаевич; RFBR [17-52-53031, 16-02-00102]; Ministry of Education and Science of the Russian Federation; Krasnoyarsky regional fund of scientific support and scientific-technical activity
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Gross, E. F.
The rotational vibrations of molecules crystal lattices of organic substances and scatterings spectra / E. F. Gross, A. V. Korshunov // Acta Physicochimica URSS. - 1945. - Vol. 20, n. 3. - P. 351

Публикация на русском языке Гросс Е. Ф. Вращательные качания молекул в кристаллической решетке органических веществ и спектры рассеяния [Текст] / Е. Ф. Гросс, А. В. Коршунов // Журн. эксперим. и теор. физ. - 1946. - Т. 16 вып. 1. - С. 53-59

Доп.точки доступа:
Korshunov, A. V.; Коршунов, Анатолий Васильевич; Гросс Е. Ф.
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Manifestation of Vacancies in a Spectrum of Organic Molecular Crystal Lattice Vibrations [Текст] / M. A. Korshunov // arXiv. - 2008. - Ст. 0802.2480

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Korshunov, M.A.
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Unfolding the terahertz spectrum of soft porous crystals: rigid unit modes and their impact on phase transitions / A. E.J. Hoffman, I. Senkovska, J. Wieme [et al.] // J. Mater. Chem. A. - 2022. - Vol. 10, Is. 33. - P. 17254-17266, DOI 10.1039/d2ta01678h. - Cited References: 80. - This work was financially supported by the Fund for Scientific Research Flanders (FWO), the Research Board of the Ghent University (BOF), the Deutsche Forschungsgemeinschaft (DFG, project number 448809307), and the Russian Foundation for Basic Research (RFBR, project number 21-52-12018). The authors thank Kerstin Zechel for sample synthesis. The computational resources and services used in this work were provided by the Flemish Supercomputer Center (VSC), funded by FWO and the Flemish Government . - ISSN 2050-7488
Кл.слова (ненормированные):
Calculations -- Crystalline materials -- Lattice vibrations -- Phonons -- Vibration analysis -- Ab initio -- Building blockes -- Dynamics calculations -- Low-frequency phonon -- Metalorganic frameworks (MOFs) -- Phase transition mechanisms -- Porous crystals -- Rigid unit modes -- Terahertz spectrum -- Unfoldings -- Organometallics
Аннотация: Phase transitions in flexible metal-organic frameworks or soft porous crystals are mediated by low-frequency phonons or rigid-unit modes. The alteration of specific building blocks may change the lattice dynamics of these frameworks, which can influence the phase transition mechanism. In this work, the impact of building block substitution on the rigid-unit modes in flexible MIL-53 analogs with a winerack topology will be investigated via ab initio lattice dynamics calculations. First, the accuracy of the theoretical simulations is verified via experimental Raman measurements, which provide unique fingerprint vibrations in the terahertz range to characterize the phase transition. Following analysis of the low-frequency vibrations shows that there exists a set of universal rigid-unit modes inducing translations and/or rotations of the building blocks. The theoretical results demonstrate that linker substitutions have a large effect on the rigid-unit mode frequencies, whereas this is less so for inorganic chain substitutions. These findings may help to rationally tune the phonon frequencies in soft porous crystals.

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Держатели документа:
Center for Molecular Modeling, Ghent University, Technologiepark 46, Zwijnaarde, 9052, Belgium
Inorganic Chemistry I, Technische Universitat Dresden, Bergstra?e 66, Dresden, 01187, Germany
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Hoffman, A. E.J.; Senkovska, I.; Wieme, J.; Krylov, A. S.; Крылов, Александр Сергеевич; Kaskel, S.; Van Speybroeck, V.
}
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    Orlov, V. A.
    Spectrum of collective vibrations of vortex domain walls in a ferromagnetic nanostripe array / V. A. Orlov, G. S. Patrin, I. N. Orlova // Eur. Phys. J. B. - 2022. - Vol. 95, Is. 3. - Ст. 52, DOI 10.1140/epjb/s10051-022-00315-y. - Cited References: 32. - The study was carried out within the state assignment of the Ministry of Science and Higher Education of the Russian Federation, theme no. FSRZ-2020-0011 . - ISSN 1434-6028
   Перевод заглавия: Спектр коллективных колебаний вихревых доменных стенок в массиве ферромагнитных нанолент
Кл.слова (ненормированные):
Domain walls -- Ferromagnetic materials -- Magnetostatics -- Vortex flow
Аннотация: A problem of the spectrum of the collective periodic motion of vortex domain walls in a system of parallel ferromagnetic nanostripe is theoretically solved. The magnetic subsystems of stripes are coupled by the magnetostatic interaction. The effect of the distribution of vortex core polarities and chiralities on the character of periodic motion and the spectrum of collective modes of the nanostripe magnetization is discussed. Analytical expressions for the dispersion law and damping parameter of the collective periodic motion of vortex domain walls are obtained.

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Держатели документа:
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, 660036, Russian Federation
Krasnoyarsk State Pedagogical University after V.P. Astaf’ev, Krasnoyarsk, 660049, Russian Federation

Доп.точки доступа:
Patrin, G. S.; Патрин, Геннадий Семёнович; Orlova, I. N.; Орлов, Виталий Александрович
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10.

    Integration of negative, zero and positive linear thermal expansion makes borate optical crystals light transmission temperature-independent / X. Jiang, N. Wang, L. Dong [et al.] // Mater. Horizons. - 2022. - Vol. 9, Is. 8. - P. 2207-2214, DOI 10.1039/d2mh00273f. - Cited References: 50. - The authors acknowledge Zhuohong Yin for useful discussions and Anqi Dai from Guangzhou Design Institute for image processing. This work was supported by the National Scientific Foundations of China (Grants 11974360 and 51872297), the Young Elite Scientist Sponsorship Program by CAST (YESS), Key deployment projects of Rare Earth Research Institute (Grant ZDRW-CN-2021-3), and the CAS Project for Young Scientists in Basic Research (Grants YSBR-024) . - ISSN 2051-6347
   Перевод заглавия: Суммирование отрицательного, нулевого и положительного линейного теплового расширения делает светопропускание оптических кристаллов бората независимым от температуры
Кл.слова (ненормированные):
Lattice vibrations -- Light transmission -- Chemical component -- Harmful effects -- HEAT cool -- Heat expansion -- Linear thermal expansions -- Optical crystals -- Physico-chemical mechanisms -- Temperature independents -- Thermal excitation -- Zero thermal expansion -- Thermal expansion
Аннотация: Negative and zero thermal expansion (NTE and ZTE) materials are widely adopted to eliminate the harmful effect from the “heat expansion and cool contraction” effect and frequently embrace novel fundamental physicochemical mechanisms. To date, the manipulation of NTE and ZTE materials has mainly been realized by chemical component regulation. Here, we propose another method by making use of the anisotropy of thermal expansion in noncubic single crystals, with maximal tunability from the integration of linear NTE, ZTE and positive thermal expansion (PTE). We demonstrate this concept in borate optical crystals of AEB2O4 (AE = Ca or Sr) to make the light transmission temperature-independent by counterbalancing the thermal expansion and thermo-optics coefficient. We further reveal that such a unique thermal expansion behavior in AEB2O4 arises from the synergetic thermal excitation of bond stretching in ionic [AEO8] and rotation between covalent [BO3] groups. This work has significant implications for understanding the thermal excitation of lattice vibrations in crystals and promoting the functionalization of anomalous thermal expansion materials.

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Держатели документа:
Functional Crystals Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China
University of the Chinese Academy of Sciences, Beijing, 100049, China
School of Science, Jiangsu University of Science and Technology, Zhenjiang, 212100, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fujian, Fuzhou, 350002, China
Key Laboratory of Cryogenics, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
School of Materials Science and Engineering, TKL of Metal and Molecule-Based Material Chemistry, Nankai University, Tianjin, 300350, China

Доп.точки доступа:
Jiang, X.; Wang, N.; Dong, L.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, S.; Liu, Y.; Guo, S.; Li, W.; Huang, R.; Wu, S.; Li, L.; Lin, Z.
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