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    Nemtsev, I. V.
    Ab initio study of the magnetic, optical and electronic properties of spinel Co3O4 within DFT and GW approaches / I. V. Nemtsev, V. S. Zhandun // Euro-asian symposium "Trends in magnetism" (EASTMAG-2019) : Book of abstracts / чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.]; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. - Vol. 2. - Ст. H.P17. - P. 99-101. - Cited References: 3. - This work was supported by the “BASIS” Foundation for Development of Theoretical Physics and Mathematics, and the Krasnoyarsk Regional Fund of Science and Technology Support according to the participation in the VII Euro-Asian Symposium “Trends in Magnetism”: EASTMAG-2019 . - ISBN 978-5-9500855-7-4
   Перевод заглавия: Влияние температуры на вызванный примесями переход s+- - s++ в многозонной модели сверхпроводников на основе железа

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Ovchinnikov, S. G. \чл. конс. ком.\; Овчинников, Сергей Геннадьевич; Volkov, N. V. \чл. конс. ком.\; Волков, Никита Валентинович; Dzebisashvili, D. M. \чл. прогр. ком.\; Дзебисашвили, Дмитрий Михайлович; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Немцев, Иван Васильевич; Российская академия наук; Уральское отделение РАН; Институт физики металлов им. М. Н. Михеева Уральского отделения РАН; Уральский федеральный университет им. первого Президента России Б.Н. Ельцина; Российский фонд фундаментальных исследований; Euro-Asian Symposium "Trends in MAGnetism"(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg); "Trends in MAGnetism", Euro-Asian Symposium(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg)
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Zhandun, V. S.
Ab initio comparative study of the magnetic, electronic and optical properties of AB2O4 (A, B= Mn, Fe) spinels / V. S. Zhandun, A. V. Nemtsev // Mater. Chem. Phys. - 2021. - Vol. 259. - Ст. 124065, DOI 10.1016/j.matchemphys.2020.124065. - Cited References: 32. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project № 19-42-240016: «Control of structural, magnetic, electronic, and optical properties by pressure and intercalation into functional compounds with a spinel structure containing 3d and 4f ions » The calculations were performed with the computer resources of “Complex modeling and data processing research installations of mega-class” SRC “Kurchatovsky Institute” (http://ckp.urcki.ru) . - ISSN 0254-0584. - ISSN 1879-3312
Кл.слова (ненормированные):
Ab initio calculations -- Spinel -- Magnetic and electronic properties -- Optical properties -- Inverse structure -- Manganese and iron oxides
Аннотация: The comparison of the magnetic, electronic, and optical properties of the spinel transition-metal oxides AB2O4 (A, B = Fe, Mn) and their relationship with the structure and composition were studied within DFT-GGA + U approximation. The spinels were considered both in the normal and inverse structure. We have found that regardless of composition and structure, the studied spinels are ferrimagnetic with antiparallel magnetic moments on A- and B-site cations. Electronic and structural properties of spinels depend on the composition: FeMn2O4 has a tetragonal structure and half-metallic properties; however, in the inverse FeMn2O4, the bandgap opens for the spin-up channel. MnFe2O4 is a cubic insulator with a bandgap of about 1.5 eV, which decreases in the inverse structure. The superexchange constants estimate within the simple indirect coupling model and have values close to the experimental ones. The total magnetization of FeMn2O4 is drop-down to zero under hydrostatic pressure above 60 GPa due to the strong dependence of the magnetic moment of octahedral manganese ion on the pressure. The microscopic mechanisms of the relationship between the structure, composition and properties are studied.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center, Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Nemtsev, A. V.; Немцев, А. В.; Жандун, Вячеслав Сергеевич
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Zhandun, V. S.
Ab initio study of the magnetic, optical and electronic properties of spinel Co3O4 within DFT and GW approaches / V. S. Zhandun, A. Nemtsev // J. Magn. Magn. Mater. - 2020. - Vol. 499. - Ст. 166306, DOI 10.1016/j.jmmm.2019.166306. - Cited References: 65. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project № 18-42-243019: «First-principles studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions». The calculations were performed with the computer resources of “Complex modeling and data processing research installations of mega-class ”SRC“ Kurchatovsky Institute” (http://ckp.urcki.ru). . - ISSN 0304-8853. - ISSN 1873-4766
Кл.слова (ненормированные):
Ab initio calculations -- GW approximation -- Spinel -- Magnetic and electronic properties -- Optical properties -- Low-spin -- High-spin transition
Аннотация: The spinel cobalt oxide Co3O4 is an antiferromagnetic semiconductor containing two non-equivalent Co2+ and Co3+ cobalt ions with different local environments and different magnetic moments. We have performed ab initio study and comparison of the electronic, magnetic and optical properties of Co3O4 within GGA, GGA + U, and G0W0 approximations. GGA correctly predicts Co3O4 to be a semiconductor, but severely underestimates the bandgap. G0W0 approximations increase the bandgap indicating a better description of the cobalt localized d-states. The spectral weights of the bands near Fermi energy are about 0.5. Ab initio calculations confirm that the low-spin state of Co3+ ion arises due to the local environment and the crystal effect field. The investigation of the pressure dependencies of magnetic properties revealed the appearance of Co3+ ion abrupt transition from low-spin state to high-spin state under tensile pressure. This allows manipulating the spin state of Co3+ ions through the pressure or strain.

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Держатели документа:
Kirensky Institute of Physics - Federal Research Center “Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences”, 660036 Krasnoyarsk, Russia
Reshetnev Siberian State University of Science and Technology, 660037 Krasnoyarsk, Russia

Доп.точки доступа:
Nemtsev, A. V.; Немцев, Андрей В.; Жандун, Вячеслав Сергеевич
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Nemtsev, I. V.
Ab initio study of the magnetic, optical and electronic properties of spinel Co3O4 within dft and GW approaches / I. V. Nemtsev, V. S. Zhandun // Euro-asian symposium "Trends in magnetism" (EASTMAG-2019) : Book of abstracts / чл. конс. ком.: S. G. Ovchinnikov, N. V. Volkov [et al.] ; чл. прогр. ком. D. M. Dzebisashvili [et al.]. - 2019. - Vol. 2. - Ст. H.P17. - P. 99-100. - Cited References: 5. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research project no. 18-42-243019: “Firstprinciples studies of the polarization, magnetic, electronic, and magnetoelectric properties of functional compounds with a spinel structure containing 3d and 4f ions”. This work has been carried out using computing resources of the federal collective usage center Complex for Simulation and Data Processing for Mega-science Facilities at NRC “Kurchatov Institute”, http://ckp.nrcki.ru/ . - ISBN 978-5-9500855-7-4

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Ovchinnikov, S. G. \чл. конс. ком.\; Овчинников, Сергей Геннадьевич; Volkov, N. V. \чл. конс. ком.\; Волков, Никита Валентинович; Dzebisashvili, D. M. \чл. прогр. ком.\; Дзебисашвили, Дмитрий Михайлович; Zhandun, V. S.; Жандун, Вячеслав Сергеевич; Немцев, Иван Васильевич; Российская академия наук; Уральское отделение РАН; Институт физики металлов им. М. Н. Михеева Уральского отделения РАН; Уральский федеральный университет им. первого Президента России Б.Н. Ельцина; Российский фонд фундаментальных исследований; Euro-Asian Symposium "Trends in MAGnetism"(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg); "Trends in MAGnetism", Euro-Asian Symposium(7 ; 2019 ; Sept. ; 8-13 ; Ekaterinburg)
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    Complex oxide with negative thermal expansion for producing ceramic matrix composites with invar effect / E. S. Dedova [et al.] // AIP Conf. Proc. - 2016. - Vol. 1783: Advanced materials with hierarchical structure for new technologies and reliable structures 2016. - Ст. 020037, DOI 10.1063/1.4966330. - Cited References: 12. - The research was conducted with partial financial support by an agreement with the Ministry of Education No. 14.575.21.0040 (RFMEFI57514X0040). Authors are grateful to Institute of Physics for their help in the dilatometer investigation.
   Перевод заглавия: Комплексные оксиды с отрицательным тепловым расширением для получения керамических композитов с инварным эффектом
Кл.слова (ненормированные):
ceramics -- zirconium tungstate -- negative thermal expansion coefficient -- phase transformation -- spinel
Аннотация: The article investigates the phase composition of (Al2O3 – 20 wt % ZrO2)–ZrW2O8 ceramic composites obtained by cold-pressing and sintering processes. Using X-ray analysis it has been shown that composites mainly have monoclinic modification of zirconium dioxide and orthorhombic phase of aluminum oxide. After adding zirconium tungstate the phase composition of sintered ceramics changes, followed by the formation of tungsten-aluminates spinel such as Alx(WOy)z. It has been shown that thermal expansion coefficient of material decreases approximatly by 30%, as compared with initial ceramics.

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Доп.точки доступа:
Dedova, E. S.; Pertushina, M. U.; Kondratenko, A. I.; Gorev, M. V.; Горев, Михаил Васильевич; Kulkov, S. N.; International Conference on Advanced Materials with Hierarchical Structure for New Technologies and Reliable Structures 2016(Tomsk)(19-23 Sept. 2016)
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Distribution of cobalt Co2+ ions in single crystals of spinel Li0.5Ga2.5O4 / V. V. Shapovalov, V. A. Shapovalov, T. V. Drokina [et al.] // Phys. Met. Metallogr. - 2024. - Vol. 125, Is. 1. - P. 27-32, DOI 10.1134/S0031918X23602883. - Cited References: 22 . - ISSN 0031-918X. - ISSN 1555-6190
Кл.слова (ненормированные):
electron paramagnetic resonance -- spinel single crystal -- unit cell -- crystal lattice -- structurally nonequivalent positions of ions
Аннотация: The distribution of Co2+ ions over sublattices and structurally nonequivalent positions in the unit cell of the crystal lattice of a single crystal of lithium gallium spinel Li0.5Ga2.5O4 is shown. This distribution determines the properties of both mono- and nanocrystalline substances. The distribution is obtained by a special technology and is manifested in the electron paramagnetic resonance (EPR) spectra. The distribution of Co2+ ions depends on the structural and magnetic nonequivalence. The structural and magnetic nonequivalence causes a multiminimum behavior of the crystal field potential in the unit cells of single crystals at the locations of Co2+ ions. The Co2+ ions are found in complexes with tetrahedral and octahedral oxygen ions. Three types of EPR spectra of Co2+ ions have been found and investigated. The Cotetr2+ spectrum is attributed to the Co2+ ion, which replaces the Ga3+ ion located in a tetrahedral oxygen environment. The spectrum of the Cooct2+ ion located in the crystal field with axial symmetry belongs to the Co2+ ion replacing the Li+ ion located in an octahedral oxygen environment. The spectrum of the Cooct2+ ion located in a low symmetry crystal field belongs to the Co2+ ion replacing the Ga3+ ion located in an octahedral oxygen environment. The nearest cationic environment of the ion creates rhombic distortions due to the different valence numbers of Li+ and Ga3+. The results of studying the angular dependences of the spectra show the presence of four and twelve magnetically nonequivalent positions in the unit cells.

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Держатели документа:
Math for America (MfA), New York, USA
Galkin Donetsk Institute of Physics and Engineering, 283048, Donetsk, Russia
Kirenskii Institute of Physics, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Shapovalov, V. V.; Shapovalov, V. A.; Drokina, T. V.; Дрокина, Тамара Васильевна; Vorotynov, A. M.; Воротынов, Александр Михайлович; Val'kov, V. I.; Вальков, В. И.
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Doping independent work function and stable band gap of spinel ferrites with tunable plasmonic and magnetic properties / N. Bhalla, S. Taneja, P. Thakur [et al.] // Nano Lett. - 2021. - Vol. 21, Is. 22. - P. 9780-9788, DOI 10.1021/acs.nanolett.1c03767. - Cited References: 41. - All authors would like to acknowledge support from EPSRC fund, award no. EP/R008841/1. Nikhil Bhalla wishes to thank Department of Economy, Northern Ireland, for supporting part of this work under GCRF Pump Priming Fund. Additionally, Atul Thakur and Preeti Thakur would like to acknowledge Gurujal, an initiative with district administration Gurugram for financial assistance from project no.176, Amity Incubation grant from the Ministry of Electronics and Information Technology (MeitY) under Technology Incubation and Development of Entrepreneurs (TIDE 2.0) program and the startup nanoLatticeX . - ISSN 1530-6984
Кл.слова (ненормированные):
plasmonics -- magnetic -- spinel -- ferrites -- atomic-doping -- MCD
Аннотация: Tuning optical or magnetic properties of nanoparticles, by addition of impurities, for specific applications is usually achieved at the cost of band gap and work function reduction. Additionally, conventional strategies to develop nanoparticles with a large band gap also encounter problems of phase separation and poor crystallinity at high alloying degree. Addressing the aforementioned trade-offs, here we report Ni–Zn nanoferrites with energy band gap (Eg) of ≈3.20 eV and a work function of ≈5.88 eV. While changes in the magnetoplasmonic properties of the Ni–Zn ferrite were successfully achieved with the incorporation of bismuth ions at different concentrations, there was no alteration of the band gap and work function in the developed Ni–Zn ferrite. This suggests that with the addition of minute impurities to ferrites, independent of their changes in the band gap and work function, one can tune their magnetic and optical properties, which is desired in a wide range of applications such as nanobiosensing, nanoparticle based catalysis, and renewable energy generation using nanotechnology.

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Держатели документа:
Nanotechnology and Integrated Bioengineering Centre (NIBEC), School of Engineering, Ulster University, Shore Road, Jordanstown, BT37 0QB, United Kingdom
Healthcare Technology Hub, Ulster University, Shore Road, Jordanstown, BT37 0QB, United Kingdom
Department of Physics, Amity University Haryana, Haryana, Gurugram, 122413, India
Department of Chemical Engineering, Loughborough University, Loughborough, LE11 3TU, United Kingdom
L.V. Kirensky Institute of Physics, Siberian Branch of RAS, Krasnoyarsk, 660036, Russian Federation
Amity Institute of Nanotechnology, Amity University Haryana, Haryana, Gurugram, 122413, India

Доп.точки доступа:
Bhalla, N.; Taneja, S.; Thakur, P.; Sharma, P. K.; Mariotti, D.; Maddi, C.; Ivanova, O. S.; Иванова, Оксана Станиславовна; Petrov, D. A.; Петров, Дмитрий Анатольевич; Sukhachev, A. L.; Сухачев, Александр Леонидович; Edelman, I. S.; Эдельман, Ирина Самсоновна; Thakur, A.
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Parshin, A. S.
Effect of a magnetization inhomogeneity on spin-wave resonance-spectra of monocrystalline films of iron-manganese spinel / A. S. Parshin, N. S. Chistyakov // Izv. Vysshikh Uchebnykh Zavedenii Fizika. - 1983. - Vol. 26, Is. 11. - P. 26-29 ; Russian Physics Journal ; Известия высших учебных заведений. Физика. - Cited References: 10 . - ISSN 0021-3411

РУБ Physics, Multidisciplinary

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Держатели документа:
LV KIRENSKII PHYS INST,KRASNOYARSK,USSR
ИФ СО РАН
Доп.точки доступа:
Chistyakov, N. S.; Чистяков, Николай Сергеевич; Паршин, Анатолий Сергеевич

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Effect of surfactants on the structure, phase composition, and magnetic properties of FexSy nanoparticles synthesized by thermal decomposition / R. D. Ivantsov, C.-R. Lin, Y.-Z. Chen [et al.] // Nanobiotechnol. Rep. - 2022. - Vol. 17, Is. 3. - P. 336-344, DOI 10.1134/S2635167622030089. - Cited References: 27. - This study was supported by the Russian Foundation for Basic Research with Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science, the research project no. 19-42-240005: “Features of the Electronic Structure, Magnetic Properties, and Optical Excitations in Nanocrystals of Multifunctional Magnetic Chalcogenides Fe3S4 and FeSe” and the Russian Foundation for Basic Research and the Ministry of Science and Technology of Taiwan, joint projects nos. 19-52-52002 and 109-2112-M-153-003 and 108-2923-M-153-001-MY3. - The electron-microscopy study was carried out at the Laboratory of Electron Microscopy of the Center for Collective Use of the Siberian Federal University within the state assignment of the Ministry of Science and Higher Education of the Russian Federation (research code FSRZ-2020-0011). The magnetic measurements were carried out on a vibrating sample magnetometer at the Krasnoyarsk Regional Center for Collective Use, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences . - ISSN 2635-1676
Кл.слова (ненормированные):
Agglomeration -- Crystal impurities -- Fourier transform infrared spectroscopy -- High resolution transmission electron microscopy -- Magnetic properties -- Magnetite -- Magnetization -- Nanomagnetics -- Sulfur compounds -- Synthesis (chemical) -- Thermogravimetric analysis -- Thermolysis -- Electron diffraction analysis -- Greigites -- Hexadecylamine -- Inverse spinel structures -- Iron sulfide -- Isostructural -- Octadecyl amine -- Organic shells -- Structures phase -- Synthesised -- Surface active agents
Аннотация: The effect of surfactants on the structure, morphology, and magnetic properties of FexSy iron-sulfide nanoparticles synthesized by thermal decomposition is studied. Oleylamine, hexadecylamine, and octadecylamine are used as surfactants. It is established by X-ray and electron-diffraction analysis combined with Mossbauer spectroscopy that, in samples 1 and 2 prepared using oleylamine and hexadecylamine, respectively, the Fe3S4 greigite phase dominates, with an inverse spinel structure isostructural to the iron oxide Fe3O4 magnetite with minor Fe9S11 impurities. Deviations in the distribution of iron cations over the tetrahedral and octahedral sites relative to the bulk greigite crystals are observed. The nanoparticles synthesized using octadecylamine (sample 3) are found to be multiphase with a greigite fraction of ~20%. In all three cases, as showed the results of transmission electron microscopy and Fourier transform infrared spectroscopy together with thermogravimetry analysis, the magnetic nanoparticles have an organic shell chemically bonded to their magnetic core, which prevents the agglomeration of the particles. This shell is much more massive in samples 2 and 3. The magnetization values for samples 1 and 2 are similar to those of greigite nanoparticles reported in publications, while the magnetization of sample 3 is several times lower, in accordance with the greigite fraction in it. The combination of fairly high magnetization with a massive organic shell allows one to consider hexadecylamine to be a promising surfactant for the synthesis of iron-sulfide nanoparticles protected from external impact and agglomeration.

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Публикация на русском языке Влияние ПАВ на структуру, фазовый состав и магнитные свойства наночастиц FexSy, полученных методом термического разложения [Текст] / Р. Д. Иванцов, Ч. Р. Лин, Ю. Ж. Чэнь [и др.] // Рос. нанотехнол. - 2022. - Т. 17 № 3. - С. 358-367

Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Department of Applied Physics, National Pingtung University, Pingtung City, 90003, Taiwan
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Ivantsov, R. D.; Иванцов, Руслан Дмитриевич; Lin, C. -R.; Chen, Y. -Z.; Ivanova, O. S.; Иванова, Оксана Станиславовна; Altunin, R. R.; Knyazev, Yu. V.; Князев, Юрий Владимирович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Shestakov, N. P.; Шестаков, Николай Петрович; Sukhachev, A. L.; Сухачев, Александр Леонидович; Edelman, I. S.; Эдельман, Ирина Самсоновна
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10.

HIGH-TEMPERATURE FERROMAGNETISM AND THE METAL-SEMICONDUCTOR TRANSITION IN AN IRON CHROMIUM SULFO-SPINEL / G. A. PETRAKOVSKY [и др.] // Zhurnal Eksperimentalnoi Teor. Fiz. - 1980. - Vol. 79, Is. 6. - P. 2413-2421. - Cited References: 10 . - ISSN 0044-4510

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Доп.точки доступа:
Petrakovskiy, G. A.; Петраковский, Герман Антонович; LOSYEVA, G. V.; SOKOLOVICH, V. V.; IKONNIKOV, V. P.; BARANOV, A. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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