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Ordering processes and phase transitions in ammonium-containing crystals of A2BWO3F3 elpasolites – com?parative Raman and infrared study [Text] / A. N. Vtyurin, A. S. Krylov [et al.] // The 6th International Seminar on Ferroelastics Physics (ISFP-6) : Voronezh, September 22–25, 2009. - P23

Доп.точки доступа:
Vtyurin, A.N.; Krylov, A.S.; Gerasimova, Ju.V.; Ivanenko, A.A.; Shestakov, N.P.; Laptash, N.M.; International Seminar on Ferroelastic Physics(6 ; 2009 ; Sept. ; 22-25 ; Voronezh)
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    Elucidating elusive quaternary selenide EuCeCuSe3: Synthesis, crystal structure, properties and theoretical studies / M. V. Grigoriev, A. V. Ruseikina, M. S. Molokeev [et al.] // J. Rare Earths. - 2024. - Vol. 42, Is. 1. - P. 163-171, DOI 10.1016/j.jre.2022.11.004. - Cited References: 47 . - ISSN 1002-0721. - ISSN 2509-4963
   Перевод заглавия: Расшифровка труднодоступного четвертичного селенида EuCeCuSe3: синтез, кристаллическая структура, свойства и теоретические исследования
Кл.слова (ненормированные):
Quaternary selenide -- Synthesis -- Crystal structure -- Ab initio calculations -- Magnetic measurements -- Spectroscopy
Аннотация: We report on the novel heterometallic quaternary selenide EuCeCuSe3, the fabrication of which has been a challenge until this work. The structure of the reported selenide was elucidated from the powder X-ray diffraction data, which revealed the formation of EuCeCuSe3 with excellent yield (96.7%) accompanied with a minor fraction of CeSe2 (3.3%), and was best solved in orthorhombic space group Pnma with the BaLaCuS3 structural type. Thus, the crystal structure of the title compound completes the row of the heterometallic quaternary selenides EuRECuSe3 (RE = La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, Lu, Y), of which the cerium-based derivative exclusively belongs to the BaLaCuS3 structural type. The distortion of the CuSe4 polyhedron was compared for the whole series of EuRECuSe3 compounds using the τ4-descriptor for four coordinated ions, which revealed the highest degree of distortion for the Ce3+-containing selenide, followed by the La3+-based derivative. Furthermore, the crystallographic and geometrical parameters of the reported selenide were discussed in comparison to the Ce3+-based sulfides SrCeCuS3 and EuCeCuS3. Ab initio calculations of the crystal structure, a phonon spectrum and elastic constants for the crystal of EuСeCuSe3 were also performed. The types and wavenumbers of fundamental modes were determined and the involvement of ions participating in the phonon modes was assessed. The experimental IR spectrum of the reported selenide was interpreted and found to be in agreement with the calculated spectrum. The experimental direct band gap of EuCeCuSe3 was measured to be 1.36 eV that is consistent with the concept of its origin due to interband transitions between orbitals emerging mainly from 4f (valence band) and 5d (conduction band) levels of the Eu2+ cation. The dependence of the Young's modulus on the direction demonstrates the anisotropy of the elastic properties, while the Vickers hardness for EuCeCuSe3 was calculated to be 5.2 GPa. Finally, the title compound is paramagnetic above 4 K.

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Держатели документа:
Laboratory of Theory and Optimization of Chemical and Technological Processes, University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation
Research and Development Department, Kemerovo State University, Krasnaya Str. 6, 650000, Kemerovo, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50 Bld. 38, 660036, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Serysheva Str. 47, 680021, Krasnoyarsk, Russian Federation
Institute of Natural Sciences and Mathematics, Ural Federal University Named After the First President of Russia B.N. Yeltsin, Mira Str. 19, 620002, Ekaterinburg, Russian Federation
Department of Photonics and Laser Technology, Siberian Federal University, Svobodnii Ave. 79, 660079, Krasnoyarsk, Russian Federation
Institute of Physics and Technology, University of Tyumen, Volodarskogo Str. 6, 625003 Tyumen, Russian Federation
Institute for Inorganic Chemistry, University of Stuttgart, Pfaffenwaldring 55, D-70569, Stuttgart, Germany
Advanced Materials for Industry and Biomedicine Laboratory, Kurgan State University, Sovetskaya Str. 63/4, 640020, Kurgan, Russian Federation
Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University Named After the First President of Russia B.N. Yeltsin, Mira Str. 19, 620002, Ekaterinburg, Russian Federation
University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation

Доп.точки доступа:
Grigoriev, Maxim V.; Ruseikina, Anna V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Chernyshev, Vladimir А.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Shestakov, N. P.; Шестаков, Николай Петрович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Garmonov, Alexander A.; Matigorov, Alexey V.; Ostapchuk, Evgeny A.; Schleid, Thomas; Safin, Damir A.
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Application of DUT-4 MOF structure switching for optical and electrical humidity sensing / A. S. Krylov, S. A. Shipilovskikh, S. N. Krylova [et al.] // Dalton Trans. - 2024. - Vol. 53, Is. 8. - P. 3459-3464, DOI 10.1039/D4DT00038B. - Cited References: 37. - The authors acknowledge the support by the state assignment of the Kirensky Institute of Physics FRC KSC SB RAS, also this work was financially supported by the RFBR (Russian Foundation for Basic Research), project no. 21-52-12018. S. A. S. acknowledges the financial support by the Russian Science Foundation (chemical part, Grant No. 22-73-10069 "Design and application of flexible metal organic frameworks for photonics devices"). V.A.M. acknowledges the Priority 2030 Federal Academic Leadership Program Ivan Sergeev (student in ITMO Univ.) for supporting in IV curve analysis. Raman, FTIR and SEM experiments were performed in the Center for Common Use of the Krasnoyarsk Scientific Center SB RAS (Krasnoyarsk, Russia) . - ISSN 1477-9226. - ISSN 1477-9234
Аннотация: The threshold structural transformation of the DUT-4 metal–organic framework (MOF) from an ordered to distorted phase during exposure to ambient conditions has been revealed. The in situ X-ray diffraction analysis, in situ Raman and FTIR spectroscopy, scanning electron microscopy and synchronous thermal analysis have been used for investigation. The reversible effect of exposure time and humidity on such a phase transition has been confirmed. We also demonstrated that the observed phase transition correlated well with changes in the optical and electronic properties of DUT-4, paving the way to a new family of MOF-based phase change materials for optoelectronic applications.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia
ITMO University, St. Petersburg, Russia
Siberian Federal University, Krasnoyarsk, Russia
South Ural State University, Chelyabinsk, Russia
Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, Akademgorodok 50, 660036 Krasnoyarsk, Russia
Institut Jean Lamour, Universite de Lorraine, UMR CNRS 7198, 54011 Nancy, France

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Shipilovskikh, S. A.; Krylova, S. N.; Крылова, Светлана Николаевна; Slyusarenko, N. V.; Timofeeva, M.; Kenzhebayeva, Yu. A.; Bachinin, S. V.; Yushina, I. D.; Cherepakhin, A. V.; Черепахин, Александр Владимирович; Shestakov, N. P.; Шестаков, Николай Петрович; Nemtsev, I. V.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Milichko, V. A.
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Core–shell Fe3O4@C nanoparticles for the organic dye adsorption and targeted magneto-mechanical destruction of Ehrlich ascites carcinoma cells / O. S. Ivanova, I. S. Edelman, Ch.-R. Lin [et al.] // Materials. - 2023. - Vol. 16, Is. 1. - Ст. 23, DOI 10.3390/ma16010023. - Cited References: 65. - This research was funded partly by the Ministry of Science and Higher Education of the Russian Federation, project FWES-2021-0035. C.-R.L., Y.-Z.C. and A.A.S. thank the National Science and Technology Council of Taiwan for the financial support, Grants NSTC № 108-2923-M-153-001-MY3 and № 110-2112-M-153-005-. Magnetic investigations were carried out in the Center for Collective Use of the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” . - ISSN 1996-1944
Кл.слова (ненормированные):
magnetite nanoparticles -- adsorption -- organic dyes -- aptamers -- magnetically induced cell destruction
Аннотация: The morphology, structure, and magnetic properties of Fe3O4 and Fe3O4@C nanoparticles, as well their effectiveness for organic dye adsorption and targeted destruction of carcinoma cells, were studied. The nanoparticles exhibited a high magnetic saturation value (79.4 and 63.8 emu/g, correspondingly) to facilitate magnetic separation. It has been shown that surface properties play a key role in the adsorption process. Both types of organic dyes—cationic (Rhodomine C) and anionic (Congo Red and Eosine)—were well adsorbed by the Fe3O4 nanoparticles’ surface, and the adsorption process was described by the polymolecular adsorption model with a maximum adsorption capacity of 58, 22, and 14 mg/g for Congo Red, Eosine, and Rhodomine C, correspondingly. In this case, the kinetic data were described well by the pseudo-first-order model. Carbon-coated particles selectively adsorbed only cationic dyes, and the adsorption process for Methylene Blue was described by the Freundlich model, with a maximum adsorption capacity of 14 mg/g. For the case of Rhodomine C, the adsorption isotherm has a polymolecular character with a maximum adsorption capacity of 34 mg/g. To realize the targeted destruction of the carcinoma cells, the Fe3O4@C nanoparticles were functionalized with aptamers, and an experiment on the Ehrlich ascetic carcinoma cells’ destruction was carried out successively using a low-frequency alternating magnetic field. The number of cells destroyed as a result of their interaction with Fe3O4@C nanoparticles in an alternating magnetic field was 27%, compared with the number of naturally dead control cells of 6%.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russia
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk 660041, Russia
Department of Applied Physics, National Pingtung University, Pingtung City 90003, Taiwan
Laboratory of Biomolecular and Medical Technologies, Krasnoyarsk State Medical University Named after Prof. V.F. Voino-Yasenetsky, Krasnoyarsk 660022, Russia
Laboratory for Digital Controlled Drugs and Theranostics, Federal Research Center KSC Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Ivanova, O. S.; Иванова, Оксана Станиславовна; Edelman, I. S.; Эдельман, Ирина Самсоновна; Lin, Chun-Rong; Svetlitsky, E. S.; Светлицкий, Евгений Сергеевич; Sokolov, A. Е.; Соколов, Алексей Эдуардович; Lukyanenko, Kirill A.; Sukhachev, A. L.; Сухачев, Александр Леонидович; Shestakov, N. P.; Шестаков, Николай Петрович; Chen, Ying-Zhen; Spivakov, Aleksandr A.
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    Structural, spectroscopic, electric and magnetic properties of new trigonal K5FeHf(MoO4)6 orthomolybdate / V. Grossman, V. Atuchin, B. G. Bazarov [et al.] // Molecules. - 2023. - Vol. 28, Is. 4. - Ст. 1629, DOI 10.3390/molecules28041629. - Cited References: 82. - This work was supported by the state order of BINM SB RAS (0273-2021-0008), IIC (121031700318-8), ISP (FWGW-2022-0006) and the Russian Science Foundation (21-19-00046). The research was granted by the Government of the Russian Federation (075-15-2022-1132) . - ISSN 1420-3049
   Перевод заглавия: Структурные, спектроскопические, электрические и магнитные свойства нового тригонального K5FeHf(MoO4)6 ортомолибдата
Кл.слова (ненормированные):
ternary molybdate -- phase relations -- crystal structure -- Raman -- electronic structure -- magnetic properties
Аннотация: A new multicationic structurally disordered K5FeHf(MoO4)6 crystal belonging to the molybdate family is synthesized by the two-stage solid state reaction method. The characterization of the electronic and vibrational properties of the K5FeHf(MoO4)6 was performed using density functional theory calculations, group theory, Raman and infrared spectroscopy. The vibrational spectra are dominated by vibrations of the MoO4 tetrahedra, while the lattice modes are observed in a low-wavenumber part of the spectra. The experimental gap in the phonon spectra between 450 and 700 cm−1 is in a good agreement with the simulated phonon density of the states. K5FeHf(MoO4)6 is a paramagnetic down to 4.2 K. The negative Curie–Weiss temperature of −6.7 K indicates dominant antiferromagnetic interactions in the compound. The direct and indirect optical bandgaps of K5FeHf(MoO4)6 are 2.97 and 3.21 eV, respectively. The K5FeHf(MoO4)6 bandgap narrowing, with respect to the variety of known molybdates and the ab initio calculations, is explained by the presence of Mott-Hubbard optical excitation in the system of Fe3+ ions.

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Держатели документа:
Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude 670047, Russia
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russia
Department of Applied Physics, Novosibirsk State University, Novosibirsk 630090, Russia
Research and Development Department, Kemerovo State University, Kemerovo 650000, Russia
Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk 630073, Russia
R&D Center “Advanced Electronic Technologies”, Tomsk State University, Tomsk 634034, Russia
Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk 660041, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Laboratory of Crystal Chemistry, Institute of Inorganic Chemistry, SB RAS, Novosibirsk 630090, Russia
Institute of Chemistry and Chemical Technology, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Grossman, V.; Atuchin, V. V.; Bazarov, B. G.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Eremin, E. V.; Еремин, Евгений Владимирович; Krylov, A. S.; Крылов, Александр Сергеевич; Kuratieva, N.; Bazarova, J. G.; Maximov, N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Pervukhina, N.; Shestakov, N. P.; Шестаков, Николай Петрович
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    Structure and vibrational spectroscopy of C82 fullerenol valent isomers: An experimental and theoretical joint study / F. N. Tomilin, P. V. Artyushenko, I. A. Shchugoreva [et al.] // Molecules. - 2023. - Vol. 28, Is. 4. - Ст. 1569, DOI 10.3390/molecules28041569. - Cited References: 57. - Synthesis and spectroscopic study of the Gd@C82OxHy complexes were supported by the Ministry of Science and Higher Education of the Russian Federation under project FWES-2022-0005. Molecular design of the fullerene derivatives was supported by the National Research Foundation of the Republic of Korea, grant NRF 2021R1A2C1010455. DFTB3 electronic structure calculations were supported by Project FSWM-2020-0033 of the Russian Ministry of Science and Education . - ISSN 1420-3049
   Перевод заглавия: Структура и колебательная спектроскопия валентных изомеров фуллеренола C82: совместное экспериментальное и теоретическое исследование
Кл.слова (ненормированные):
C82 -- Gd endohedral complexes -- biomedical applications -- fullerenols -- DFTB3 electronic structure calculations -- IR spectra
Аннотация: Gd@C82OxHy endohedral complexes for advanced biomedical applications (computer tomography, cancer treatment, etc.) were synthesized using high-frequency arc plasma discharge through a mixture of graphite and Gd2O3 oxide. The Gd@C82 endohedral complex was isolated by high-efficiency liquid chromatography and consequently oxidized with the formation of a family of Gd endohedral fullerenols with gross formula Gd@C82O8(OH)20. Fourier-transformed infrared (FTIR) spectroscopy was used to study the structure and spectroscopic properties of the complexes in combination with the DFTB3 electronic structure calculations and infrared spectra simulations. It was shown that the main IR spectral features are formed by a fullerenole C82 cage that allows one to consider the force constants at the DFTB3 level of theory without consideration of gadolinium endohedral ions inside the carbon cage. Based on the comparison of experimental FTIR and theoretical DFTB3 IR spectra, it was found that oxidation of the C82 cage causes the formation of Gd@C82O28H20, with a breakdown of the integrity of the parent C82 cage with the formation of pores between neighboring carbonyl and carboxyl groups. The Gd@C82O6(OOH)2(OH)18 endohedral complex with epoxy, carbonyl and carboxyl groups was considered the most reliable fullerenole structural model.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Non-Ferrous Metals and Materials Science, Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory for Digital Controlled Drugs and Theranostics, Federal Research Center Krasnoyarsk Scientific Center of the Siberian Branch of the RAS, Krasnoyarsk 660036, Russia
Laboratory for Biomolecular and Medical Technologies, Prof. V.F. Voino-Yasenetsky Krasnoyarsk State Medical University, Krasnoyarsk 660022, Russia
Department of Physics, Tomsk State University, Tomsk 634050, Russia
Department of Chemistry, Kyungpook National University, Daegu 41566, Republic of Korea

Доп.точки доступа:
Tomilin, F. N.; Томилин, Феликс Николаевич; Artyushenko, P. V.; Shchugoreva, I. A.; Rogova, A. V.; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Shestakov, N. P.; Шестаков, Николай Петрович; Tchaikovskaya, O. N.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.
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Флуктуации мультиплетности ионов Co3+ и смягчение фононного спектра редкоземельных оксидов кобальта / Ю. С. Орлов, В. А. Дудников, А. Э. Соколов [и др.] // Письма в ЖЭТФ. - 2022. - Т. 115, Вып. 9-10. - С. 650-655, DOI 10.31857/S1234567822100081. - Библиогр.: 25. - Работа выполнена при финансовой поддержки гранта Российского научного фонда # 18-12-00022 . - ISSN 0370-274X
Аннотация: Экспериментально и теоретически исследована необычная температурная зависимость спектров инфракрасного поглощения редкоземельных оксидов кобальта LaCoO3 и GdCoO3 в интервале температур 3.2-550 K. Обнаружено достаточно сильное смягчение оптической фононной моды, которое нельзя объяснить стандартным решеточным ангарманизмом. Показано, что красное смещение фононного спектра обусловлено квадратичным по смещению решетки электрон-фононным взаимодействием и флуктуациями мультиплетности ионов Co3+.

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Переводная версия Fluctuations of the multiplicity of Co3+ ions and softening of the phonon spectrum of rare-earth cobalt oxides [Текст] / Y. S. Orlov, V. A. Dudnikov, A. E. Sokolov [et al.] // JETP Letters. - 2022. - Vol. 115 Is. 10.- P.615-619

Держатели документа:
Институт физики им. Л. В. Киренского, Федеральный исследовательский центр “Красноярский научный центр Сибирского отделения Российской академии наук”, 660036 Красноярск, Россия
Сибирский федеральный университет, 660041 Красноярск, Россия
Институт леса им. В. Н. Сукачева, Федеральный исследовательский центр “Красноярский научный центр Сибирского отделения Российской академии наук”, 660036 Красноярск, Россия

Доп.точки доступа:
Орлов, Юрий Сергеевич; Orlov, Yu. S.; Дудников, Вячеслав Анатольевич; Dudnikov, V. A.; Соколов, Алексей Эдуардович; Sokolov, A. E.; Овчинникова, Т. М.; Шестаков, Николай Петрович; Shestakov, N. P.; Овчинников, Сергей Геннадьевич; Ovchinnikov, S. G.
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Core-shell Fe3O4@C nanoparticles for magneto-mechanical destroy of Ehrlich ascites carcinoma cells / A. Е. Sokolov, O. S. Ivanova, E. S. Svetlitsky [et al.] // The Sixth Asian school-conference on physics and technology of nanostructured materials : Proceedings. - VLadivostok, 2022. - Ст. IV.o.08. - P. 189-190. - Cited References: 2 . - ISBN 987-5-8044-1716-2
Рубрики:

Аннотация: The core-shell magnetic nanoparticles, Fe3O4@C, were synthesized and surface aptamer-functionalized to use them as destroyers of living cancer Ehrlich's ascitic carcinoma cells. The morphology and features of the structural and magnetic properties of the obtained hybrid nanoparticles are studied.

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Держатели документа:
Kirensky Institute of Physics, FRC KSC SB RAS
Siberian Federal University
Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Science
Department of Applied Physics, National Pingtung University, Taiwan

Доп.точки доступа:
Sokolov, A. Е.; Соколов, Алексей Эдуардович; Ivanova, O. S.; Иванова, Оксана Станиславовна; Svetlitsky, E. S.; Lukyanenko, K. A.; Shabanov, A. V.; Шабанов, Александр Васильевич; Shestakov, N. P.; Шестаков, Николай Петрович; Chen, Y. -Z.; Ying-Zhen Chen; Tseng, Y.-T.; Yaw-Teng Tseng; Lin, C.-R.; Chun-Rong Lin; Asian School-Conference on Physics and Technology of Nanostructured Materials(6 ; 2022 ; Apr. 25-29 ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(6 ; 2022 ; 25-29 апр. ; Владивосток)
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Ghost image restoring using random speckles created by a liquid crystal cell / N. N. Davletshin, D. A. Ikonnikov, V. S. Sutormin [et al.] // Opt. Lett. - 2022. - Vol. 47, Is. 1. - P. 9-12, DOI 10.1364/OL.445684. - Cited References: 25 . - ISSN 0146-9592. - ISSN 1539-4794

РУБ Optics

Аннотация: A liquid crystal cell is used to produce correlated light beams with speckle structures for implementation of pseudo-thermal ghost imaging. The liquid crystal cell makes it possible to provide random spatial intensity distributions, which are characterized by a low coefficient of mutual cross correlations. Ghost imaging of an object representing an amplitude mask is demonstrated. The quality of the reconstructed images was estimated by the method of structural similarity.

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Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Krasnoyarsk 660036, Russia.

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Davletshin, N. N.; Давлетшин, Николай Николаевич; Ikonnikov, Denis A.; Иконников, Денис Андреевич; Sutormin, V. S.; Сутормин, Виталий Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Baron, F. A.; Барон, Филипп Алексеевич; Vyunishev, A. M.; Вьюнышев, Андрей Михайлович
}
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10.

    Quaternary selenides EuLnCuSe3: Synthesis, structures, properties and in silico studies / M. V. Grigoriev, L. A. Solovyov, A. V. Ruseikina [et al.] // Int. J. Mol. Sci. - 2022. - Vol. 23, Is. 3. - Ст. 1503, DOI 10.3390/ijms23031503. - Cited References: 90 . - ISSN 1422-0067
   Перевод заглавия: Четвертичные селениды EuLnCuSe3: синтез, структура, свойства и компьютерное моделирование

РУБ Biochemistry & Molecular Biology + Chemistry, Multidisciplinary
Рубрики:
RARE-EARTH
   CRYSTAL-STRUCTURES
   MAGNETIC-PROPERTIES
   THERMOELECTRIC PERFORMANCE
Кл.слова (ненормированные):
inorganic materials -- ab initio calculations -- magnetic measurements -- lattice dynamics -- vibrational spectroscopy -- optical spectroscopy -- negative magnetization
Аннотация: In this work, we report on the synthesis, in-depth crystal structure studies as well as optical and magnetic properties of newly synthesized heterometallic quaternary selenides of the Eu+2Ln+3Cu+1Se3 composition. Crystal structures of the obtained compounds were refined by the derivative difference minimization (DDM) method from the powder X-ray diffraction data. The structures are found to belong to orthorhombic space groups Pnma (structure type Ba2MnS3 for EuLaCuSe3 and structure type Eu2CuS3 for EuLnCuSe3, where Ln = Sm, Gd, Tb, Dy, Ho and Y) and Cmcm (structure type KZrCuS3 for EuLnCuSe3, where Ln = Tm, Yb and Lu). Space groups Pnma and Cmcm were delimited based on the tolerance factor t’, and vibrational spectroscopy additionally confirmed the formation of three structural types. With a decrease in the ionic radius of Ln3+ in the reported structures, the distortion of the (LnCuSe3) layers decreases, and a gradual formation of the more symmetric structure occurs in the sequence Ba2MnS3 → Eu2CuS3 → KZrCuS3. According to magnetic studies, compounds EuLnCuSe3 (Ln = Tb, Dy, Ho and Tm) each exhibit ferrimagnetic properties with transition temperatures ranging from 4.7 to 6.3 K. A negative magnetization effect is observed for compound EuHoCuSe3 at temperatures below 4.8 K. The magnetic properties of the discussed selenides and isostructural sulfides were compared. The direct optical band gaps for EuLnCuSe3, subtracted from the corresponding diffuse reflectance spectra, were found to be 1.87–2.09 eV. Deviation between experimental and calculated band gaps is ascribed to lower d states of Eu2+ in the crystal field of EuLnCuSe3, while anomalous narrowing of the band gap of EuYbCuSe3 is explained by the low-lying charge-transfer state. Ab initio calculations of the crystal structures, elastic properties and phonon spectra of the reported compounds were performed.

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Держатели документа:
Univ Tyumen, Lab Theory & Optimizat Chem & Technol Processes, Tyumen 625003, Russia.
SB RAS, Inst Chem & Chem Technol, Fed Res Ctr KSC, Krasnoyarsk 660036, Russia.
Univ Tyumen, Inst Chem, Tyumen 625003, Russia.
Siberian Fed Univ, Dept Photon & Laser Technol, Krasnoyarsk 660079, Russia.
RAS, SB, Fed Res Ctr KSC, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Ural Fed Univ, Inst Nat Sci & Math, Mira Str 19, Ekaterinburg 620002, Russia.
Univ Tyumen, Inst Phys & Technol, Tyumen 625003, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk 660079, Russia.
Siberian Fed Univ, Sch Engn & Construct, Krasnoyarsk 660041, Russia.
Univ Tyumen, Engn Ctr Composite Mat Based Wolfram Cpds & Rare, Tyumen 625003, Russia.
Univ Stuttgart, Inst Inorgan Chem, D-70569 Stuttgart, Germany.
Kurgan State Univ, Adv Mat Ind & Biomed Lab, Sovetskaya Str 63-4, Kurgan 640020, Russia.
Ural Fed Univ, Innovat Ctr Chem & Pharmaceut Technol, Mira Str 19, Ekaterinburg 620002, Russia.

Доп.точки доступа:
Grigoriev, Maxim V.; Solovyov, Leonid A.; Ruseikina, Anna V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Chernyshev, Vladimir A.; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Garmonov, Alexander A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Matigorov, Alexey V.; Volkova, Svetlana S.; Ostapchuk, Evgeniy A.; Kertman, Alexander V.; Schleid, Thomas; Safin, Damir A.
}
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