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Luminescence of manganese ions in yttrium aluminium borate / Aleksandrovsky A.S., Gudim I.A., Krylov A.S, Temerov V.E. // 15th International Conference on Luminescence and Optical Spectroscopy of Condensed Matter, Lyon, 2008, p.482

Доп.точки доступа:
Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Gudim, I. A.; Гудим, Ирина, Анатольевна; Krylov, A. S; Temerov, V. E.
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Temperature Raman study of Li4Ti5O12 and ambiguity in the number of its bands / A. A. Nikiforov, A. S. Krylov, S. N. Krylova [et al.] // J. Raman Spectrosc. - 2024. - Vol. 55, Is. 3. - P. 406-415, DOI 10.1002/jrs.6641. - Cited References: 51. - The research was funded by the Russian Science Foundation (project No 22-22-00350, https://rscf.ru/project/22-22-00350) . - ISSN 0377-0486. - ISSN 1097-4555
Кл.слова (ненормированные):
defects -- distortions -- lithium titanate -- lithium titanium oxide -- spinel structure
Аннотация: The two primary physical methods for identifying lithium titanate, a negative electrode material used commercially, are X-Ray diffraction and Raman spectroscopy. Although there are many publications on this topic, they are focused mainly on chemistry, so there are still some points that require clarification from a physical and methodological point of view. Difference of experimentally observed and theoretically predicted Raman spectra was explained through a combination of experiments and computations. The work comprises experiments and computations to explain why there are different numbers of predicted and observed Raman-active bands. Our low-temperature study and the analysis of thermal shifts during heating led us to conclude that the approach with surplus bands is advantageous and we recommend using major F2g band shifts to estimate the sample heating.

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Держатели документа:
Institute of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, Russia
L.V. Kirensky Institute of Physics SB RAS, Krasnoyarsk, Russia
Independent Researcher, Ekaterinburg, Russia

Доп.точки доступа:
Nikiforov, A. A.; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Gorshkov, V. S.; Pelegov, D. V.
}
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Synthesis and study of superhigh-concentrated organosols of silver nanoparticles / S. A. Vorobyev, M. Yu. Flerko, S. A. Novikova [et al.] // Colloid J. - 2024. - Vol. 86, Is. 2. - P. 208-217, DOI 10.1134/S1061933X23601294. - Cited References: 33. - The work was carried out with the financial support of the basic project FWES-2021-0014 of the Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, and the Federal Program "Priority 2030" using the equipment of the Krasnoyarsk regional center for collective use of the Federal Research Center Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences . - ISSN 1061-933X. - ISSN 1608-3067
Кл.слова (ненормированные):
silver nanoparticles (NPs) -- concentrated silver organosols -- phase transfer of nanoparticles -- X-ray photoelectron spectroscopy (XPS) -- transmission electron microscopy (TEM) -- conductive silver films
Аннотация: Due to their unique properties, organosols of silver nanoparticles are widely used in optical and semiconductor devices, to produce electrically and thermally conductive films, as catalysts, antibacterial materials, etc. This work proposes a simple and highly productive method for the preparation of silver organosols, which have a metal concentration as high as 1800 g/L and contain spherical nanoparticles with low polydispersity and a median size of 9.1 nm. The method consists in the initial preparation of silver nanoparticle hydrosols with a concentration of higher than 30 g/L followed by the transfer of the NPs into an organic phase of o-xylene. A set of physical research methods has been employed to study the regularities of the extraction of silver nanoparticles with o-xylene in the presence of cetyltrimethylammonium bromide (CTAB) and ethanol and to determine the optimal process conditions, under which the extraction degree is as high as 62.5%. It has been found that bromine anions contained in CTAB molecules cause the aggregation of some amount of silver nanoparticles with the formation of silver metal sediment in the aqueous phase. According to X-ray photoelectron spectroscopy data, the sediment contains bromide ions (up to 4 at %) on the particle surface. Organosols synthesized under optimal conditions are stable for more than 7 months and withstand repeated cycles of drying and redispersing. Silver organosols have been used to obtain metal films with an electrical conductivity of about 68 500 S/cm, which increases to 412 000 and 509 500 S/cm (87.8% of the electrical conductivity of bulk silver) after thermal treatment at 150 and 250°C, respectively.

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Держатели документа:
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russia
Siberian Federal University, 660041, Krasnoyarsk, Russia
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russia
Tomsk National Research State University, 634050, Tomsk, Russia

Доп.точки доступа:
Vorobyev, S. A.; Flerko, M. Yu.; Novikova, S. A.; Mazurova, E. V.; Tomashevich, Ye. V.; Likhatski, M. N.; Saikova, S. V.; Samoilo, A. S.; Zolotovsky, N. A.; Золотовский, Н. А.; Volochaev, M. N.; Волочаев, Михаил Николаевич
}
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Raman study of decomposition of Na-bearing carbonates in water fluid at high P–T parameters / S. Goryainov, A. Krylov, U. Borodina [et al.] // Spectrochim. Acta - A: Mol. Biomol. Spectrosc. - 2024. - Ст. 124801, DOI 10.1016/j.saa.2024.124801. - Cited References: 74. - Authors thank V.S. Shevchenko, A.F. Shatskiy, A.G. Sokol and A.V. Golovin for fruitful discussion. We acknowledge I.N. Kupriyanov for discussion and measurements of FTIR spectra of the samples. This work was carried out within the framework of the Russian Federation state assignment of the Sobolev Institute of Geology and Mineralogy SB RAS (state registration number: 122041400176-0) and A.K., S.K and A.V. thanks for support the Russian Federation state assignment of Kirensky Institute of Physics, Federal Research Center KSC SB RAS (state registration number: FWES-2024-0003). Work partially supported by the Russian Foundation for Basic Researches (RFBR-21-55-14001 ANF a grant). Equipment and devices of the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” were used for Raman experiments at high P–T conditions . - ISSN 1386-1425. - ISSN 1873-3557
Кл.слова (ненормированные):
Raman spectroscopy -- Carbonates -- High pressure -- High temperature -- Abiogenic formation of organics -- Organic formates -- Organic molecular crystals
Аннотация: The study of Na-carbonates stability and their transformations in aqueous carbonate fluid under high P–T conditions is relevant from the point of view of the understanding geochemical processes of the Na-assisted carbon circulation in the Earth’s crust and subduction zones. In situ Raman study of Na-bearing carbonate-water-Fe-metal system in diamond anvil cell (DAC) at high P–T conditions revealed that carbonates decompose with abiogenic formation of formates and other organic compounds that differs from behavior of carbonates in dry system. XRD and FTIR methods have been used additionaly to determine the phase composition. Na-bearing carbonates (nahcolite NaHCO3, shortite Na2Ca2(CO3)3 and cancrinite Na7Ca[(CO3)1.5Al6Si6O24]·2H2O) in aqueous fluid decompose to form simple carbonates and formates (as dominant organic molecules) at moderate P–T parameters (above ∼0.2 GPa, 200°C). Our experimental results directly confirm the hypothesis of Horita and Berndt (Science, 1999) about possible yield of organic formates in the carbonate-water-metal system. Nahcolite NaHCO3 in aqueous fluid in the presence of Fe metal decomposes into anhydrous phases: natrite γ-Na2CO3, siderite, magnetite (due to dissolution of Fe steel gasket), Na-formate and likely organic molecular crystalline solvate of Na-formate and methyl formate. Shortite decays into anhydrous phases: aragonite CaCO3, Na-Ca-formates and an amorphous phase. Cancrinite decomposes to unidentified carbonate-alumonosilicate phases, Na-Ca-formates and unknown organic molecular crystal. Magnetite is also formed in this system due to dissolution of Fe steel gasket used in DAC. The present study provides a new insight in processes of abiogenic formation of organic matter from carbonates in the crust and upper mantle.

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Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, prospect Acad. Koptyug 3, Novosibirsk, 630090, Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok, 50, bld. 38, Krasnoyarsk, 660036, Russia

Доп.точки доступа:
Goryainov, S.; Krylov, A. S.; Крылов, Александр Сергеевич; Borodina, U.; Likhacheva, A.; Krylova, S. N.; Крылова, Светлана Николаевна; Seryotkin, Yu.; Bogdanov, N.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Grishina, S.
}
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    Effects of endohedral Gd-containing fullerenols with a different number of oxygen substituents on bacterial bioluminescence / E. A. Stepin, E. S. Sushko, N. G. Vnukova [et al.] // Int. J. Mol. Sci. - 2024. - Vol. 25, Is. 2. - Ст. 708, DOI 10.3390/ijms25020708. - Cited References: 102. - This research was funded by the State Assignment of the Ministry of Science and Higher Education of the Russian Federation, project No. 0287-2021-0020, and partly supported by the Russian Science Foundation No. 23-26-10018, Krasnoyarsk Regional Science Foundation . - ISSN 1661-6596. - ISSN 1422-0067
   Перевод заглавия: Влияние эндоэдральных Gd-содержащих фуллеренолов с различным числом кислородных заместителей на биолюминесценцию бактерий
Кл.слова (ненормированные):
endohedral fullerenol -- gadolinium -- bioluminescence -- bacterial bioassay -- toxicity -- enzymatic bioassay -- reactive oxygen species -- density functional tight binding method -- fourier-transform infrared spectroscopy
Аннотация: Gadolinium (Gd)-containing fullerenols are perspective agents for magnetic resonance imaging and cancer research. They combine the unique paramagnetic properties of Gd with solubility in water, low toxicity and antiradical activity of fullerenols. We compared the bioeffects of two Gd-containing fullerenols with a different number of oxygen groups—20 and 42: Gd@C82O20H14 and Gd@C82O42H32. The bioluminescent bacteria-based assay was applied to monitor the toxicity of fullerenols, bioluminescence was applied as a signal physiological parameter, and bacterial enzyme-based assay was used to evaluate the fullerenol effects on enzymatic intracellular processes. Chemiluminescence luminol assay was applied to monitor the content of reactive oxygen species (ROS) in bacterial and enzymatic media. It was shown that Gd@C82O42H32 and Gd@C82O20H14 inhibited bacterial bioluminescence at >10?1 and >10?2 gL?1, respectively, revealing a lower toxicity of Gd@C82O42H32. Low-concentration (10?3–10?1 gL?1) bacterial bioluminescence activation by Gd@C82O42H32 was observed, while this activation was not found under exposure to Gd@C82O20H14. Additional carboxyl groups in the structure of Gd@C82O42H32 were determined by infrared spectroscopy and confirmed by quantum chemical calculations. The groups were supposed to endow Gd@C82O42H32 with higher penetration ability through the cellular membrane, activation ability, lower toxicity, balancing of the ROS content in the bacterial suspensions, and lower aggregation in aqueous media.

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Держатели документа:
Biophysics Department, School of Fundamental Biology and Biotechnology, Siberian Federal University, 660041 Krasnoyarsk, Russia
Institute of Biophysics SB RAS, FRC KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Physics SB RAS, FRC KSC SB RAS, 660036 Krasnoyarsk, Russia
Department of Solid State Physics and Nanotechnology, School of Engineering Physics and Radioelectronics, Siberian Federal University, 660074 Krasnoyarsk, Russia
Department of Physical and Inorganic Chemistry, School of Non-Ferrous Metals and Materials Science, Siberian Federal University, 660025 Krasnoyarsk, Russia
Laboratory for Digital Controlled Drugs and Theranostics, FRC KSC SB RAS, 660036 Krasnoyarsk, Russia

Доп.точки доступа:
Stepin, E. A.; Sushko, E. S.; Сушко, Екатерина Сергеевна; Vnukova, N. G.; Внукова, Наталья Григорьевна; Churilov, G. N.; Чурилов, Григорий Николаевич; Rogova, A. V.; Tomilin, F. N.; Томилин, Феликс Николаевич; Kudryasheva, N. S.
}
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Modification of synthetic valleriite surface with gold nanoparticles: The roles of specific adsorption and zeta potential / A. A. Karacharov, M. N. Likhatski, R. V. Borisov [et al.] // Colloid J. - 2024. - Vol. 86, Is. 1. - P. 40-51, DOI 10.1134/S1061933X23601075. - Cited References: 69. - This work was supported by the Russian Science Foundation project no. 22-13-00321 . - ISSN 1061-933X. - ISSN 1608-3067
Кл.слова (ненормированные):
synthetic valleriites -- gold nanoparticles -- X-ray photoelectron spectroscopy -- transmission electron microscopy -- zeta potential
Аннотация: Layered two-dimensional materials, whose properties dramatically differ from their bulk precursors, are of great theoretical and applied importance. Recently, a layered 2D material, an analog of a natural mineral, valleriite, in which quasi-monoatomic Cu−Fe−S sheets alternate with brucite-like ones, has been prepared using a simple hydrothermal synthesis procedure. The features of the electronic structure of these materials make it possible to propose them as new materials for a wide field of applications such as (electro)photocatalysis, high-capacity batteries, etc. In this work, nanocomposite materials have been prepared via immobilization of gold nanoparticles (AuNPs) from citrate hydrosols on the surface of the synthesized valleriites having different compositions of hydroxide layers, which control the surface charge density. According to X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), energy-dispersive X-ray microanalysis (EDX), and selected area electron diffraction (SAED) data, AuNPs are immobilized on valleriite nanoflakes, which have lateral sizes of 150–200 nm and thicknesses of several tens of nanometers, as isolated metal nanoparticles with an average diameter of 11 nm. A small amount of aggregates indicates a high affinity of AuNPs for the valleriite surface. The amounts of immobilized gold are the same on all studied valleriites (~0.2%). This finding may be related to the simultaneous sorption of free citrate ions from the AuNP hydrosols, with these ions, according to zeta potential measurements, charging the surfaces of all studied valleriite samples to nearly the same negative value of –40 mV. According to the XPS data, the AuNPs immobilization markedly decreases the magnesium and oxygen contents on the surfaces of the synthesized valleriites due to the partial degradation/dissolution of the brucite layer. In addition, the amount of Fe3+ ions bound to OH groups decreases with a simultaneous increase in the fraction of Fe3+–O species. The TEM data have confirmed the preservation of the layered structure of valleriites after the immobilization of AuNPs.

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Публикация на русском языке Модификация поверхности синтетического валлериита наночастицами золота: роль специфической адсорбции и дзета-потенциала [Текст] / А. А. Карачаров, М. Н. Лихацкий, Р. В. Борисов [и др.]. - 13 с. // Коллоид. журн. - 2024. - Т. 86 № 1. - С. 45-57

Держатели документа:
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Federal Research Center “Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences”, 660036, Akademgorodok, Krasnoyarsk, Russia
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Federal Research Center “Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences”, 660036, Akademgorodok, Krasnoyarsk, Russia
Siberian Federal University, 660041, Krasnoyarsk, Russia

Доп.точки доступа:
Karacharov, A. A.; Likhatski, M. N.; Borisov, R. V.; Tomashevich, E. V.; Vorobyev, S. A.; Zharkov, S. M.; Жарков, Сергей Михайлович
}
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Raman spectroscopy of Wadsley phases of vanadium oxide / P. Shvets, A. Krylov, K. Maksimova, A. Goikhman // J. Raman Spectrosc. - 2024. - Vol. 55, Is. 4. - P. 445-458, DOI 10.1002/jrs.6644. - Cited References: 133. - This work was prepared with support from the Ministry of Science and Higher Education of the Russian Federation (project FZWM-2020-0008) . - ISSN 0377-0486. - ISSN 1097-4555
Кл.слова (ненормированные):
phase transitions -- V3O7 -- V4O9 -- V6O13 -- VO2 (B)
Аннотация: We summarize the current knowledge on crystal structures, synthesis, applications, and Raman spectroscopy of Wadsley phases of vanadium oxide, including VO2 (B), V6O13, V4O9, V3O7, and V2O5. While these oxides have garnered significant attention for potential energy storage applications and have been studied for decades, there remains inconsistency in data regarding their characteristic Raman spectra. To address this, we synthesized a series of Wadsley phases by physical vapor deposition of amorphous vanadium oxide films and subsequent annealing in a controlled environment. X-ray diffraction studies confirmed the formation of VO2 (B), V6O13, V4O9, and V3O7. We meticulously measured the room-temperature Raman spectra of these phases, offering robust reference data for the easy identification of vanadium oxides in unknown samples. Finally, we studied low-temperature phase transitions in VO2 (B) and V6O13.

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Держатели документа:
Research and Educational Center “Functional Nanomaterials”, Immanuel Kant Baltic Federal University, Kaliningrad, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Shvets, P.; Krylov, A. S.; Крылов, Александр Сергеевич; Maksimova, K.; Goikhman, A.
}
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First-principles calculations to investigate optical, phonon and electronic properties of quaternary sulfides SrRECuS3 (RE = La, Nd, Tm) / V. A. Chernyshev, A. V. Ruseikina, M. V. Grigoriev [et al.] // Inorg. Chem. Commun. - 2024. - Vol. 165. - Ст. 112449, DOI 10.1016/j.inoche.2024.112449. - Cited References: 43. - This work was supported by The Ministry of Science and Higher Education of the Russian Federation (project No. FEUZ-2023-0017) . - ISSN 1387-7003. - ISSN 1879-0259
Кл.слова (ненормированные):
Rare-earth elements -- Quaternary sulfide -- Optical properties -- Ab initio calculations -- Spectroscopy
Аннотация: The structure and properties of three layered heterometallic quaternary sulfides SrLaCuS3, SrNdCuS3 and SrTmCuS3 were studied for the first time using first-principles calculations in the stoichiometric and nonstoichiometric approximations. The applied DFT-based computations were performed using a hybrid functional with the contribution of nonlocal exchange in the Hartree-Fock formalism. It was revealed that the nonstoichiometry of SrLaCuS3 and SrNdCuS3 must be considered for modeling phonon spectra, elastic properties and band gaps. The wavenumbers and types of the Raman and "silent" modes at the Г-point were determined. From the analysis of displacement vectors, the degree of participation of ions in each mode was determined. The elastic constants and elastic moduli of the reported sulfides were calculated.

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Держатели документа:
Institute of Natural Sciences and Mathematics, Ural Federal University named after the First President of Russia B.N. Yeltsin, Ekaterinburg 620002, Russian Federation
University of Tyumen, Tyumen 625003, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russian Federation
Scientific and Educational and Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University named after the First President of Russia B.N. Yeltsin, Ekaterinburg 620002, Russian Federation

Доп.точки доступа:
Chernyshev, V. A.; Ruseikina, A. V.; Grigoriev, M. V.; Krylova, S. N.; Крылова, Светлана Николаевна; Safin, D. A.
}
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Synthesis, structure and magnetic properties of monoclinic lanthanum-chromium borate LaCr3(BO3)4 / E. A. Volkova, M. S. Platunov, A. M. Antipin [et al.] // J. Alloys Compd. - 2024. - Vol. 994. - Ст. 174683, DOI 10.1016/j.jallcom.2024.174683. - Cited References: 38. - Single crystal X-ray analysis was carried out within the State assignment NRC "Kurchatov institute" (research contribution of A.M.A.). The research contribution of M.S.P. was partially supported by the Ministry of Science and Higher Education of the Russian Federation within the governmental assignment for Synchrotron radiation facility "SKIF", Boreskov Institute of Catalysis (project FWUR-2024–0040) . - ISSN 0925-8388. - ISSN 1873-4669
Кл.слова (ненормированные):
Borates -- Flux growth -- Crystal structure -- Differential scanning calorimetry -- Powder X-ray diffraction -- IR spectroscopy -- Antiferromagnet
Аннотация: Single crystals of LaCr3(BO3)4 were synthesized through spontaneous nucleation from a K2Mo3O10 flux melt. The crystal structure was determined using single-crystal X-ray diffraction (XRD) at temperatures of 293 K and 85 K. LaCr-borate crystallizes in the monoclinic C2/c space group with unit cell parameters a = 7.47980(5) Å, b = 9.55180(7) Å, c = 11.48330(8) Å, β= 104.0060(6)°, V = 796.04(1) Å3 (for C1, T = 293 K), and a = 7.47380(5) Å, b = 9.55520(7) Å, c = 11.47100(8) Å, β = 103.9330(6)°, V = 795.08(1) Å3 (for C2, T = 85 K), each with Z = 4. The temperature dependence of the unit cell parameters, including the monoclinic angle (β) and the unit cell volume (V), was investigated over the range of 85–293 K. No structural phase transitions were observed in the low-temperature region down to 85 K. Differential scanning calorimetry (DSC) measurements revealed no high-temperature phase transitions between 50 and 1350°C. Infrared (IR) spectroscopy confirmed the monoclinic structure of LaCr3(BO3)4 crystals, revealing characteristic absorption bands, including the lowest frequency mode associated with the translational vibrations of the La3+ ion.

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Держатели документа:
Faculty of Geology, Lomonosov Moscow State University, Moscow, Russian Federation
Synchrotron radiation facility SKIF, Boreskov Institute of Catalysis SB RAS, Kol’tsovo, Russian Federation
Shubnikov Institute of Crystallography, Complex "Crystallography and Photonics", NRC "Kurchatov institute", Moscow, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, Russian Federation
Melnikov Research Institute of Comprehensive Exploitation of Mineral Resources of the Russian Academy of Sciences, Moscow, Russian Federation

Доп.точки доступа:
Volkova, E. A.; Platunov, M. S.; Платунов, Михаил Сергеевич; Antipin, A. M.; Alpanova, R. R.; Dubrovskiy, A. A.; Дубровский, Андрей Александрович; Pyastolova, Yu. V.; Пястолова, Юлия Валентиновна; Podobraznyh, A. D.; Kosorukov, V. L.; Koporulina, E. V.; Maltsev, V. V.
}
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10.

Unraveling dynamic Jahn-Teller effect and magnetism in FeTiF6×6H2O single crystal / M. S. Platunov, N. A. Fedorova, Yu. V. Pyastolova [et al.] // J. Alloys Compd. - 2024. - Vol. 999. - Ст. 175104, DOI 10.1016/j.jallcom.2024.175104. - Cited References: 51. - The authors thank the Joint Supercomputer Center (JSCC) of the Russian Academy of Sciences. The authors would like to express their sincere gratitude to the ID12 beamline staff their exceptional dedication and professionalism in performing the synchrotron experiment during the challenging circumstances of the COVID-pandemic. We are particularly grateful to the postdocs, scientists, and technicians who took part in the experiment, ensuring its successful completion. We also gratefully acknowledge the provision of beamtime (Proposal HC-4375) by the European Synchrotron Radiation Facility (ESRF). The access to this world-class facility was instrumental in obtaining the high-quality data that formed the basis of our research. We are deeply appreciative of the contributions of all involved, and we extend our heartfelt thanks to each and every one of them . - ISSN 0925-8388. - ISSN 1873-4669
Кл.слова (ненормированные):
Dynamic Jahn-Teller effect -- Density functional theory -- B3LYP -- Magnetic and electronic properties -- Mossbauer spectroscopy -- XMCD -- XANES
Аннотация: Hydrated iron fluoridotitanate (FeTiF6 × 6 H2O) single crystals are fascinating magnetic materials with unique properties. To understand the underlying mechanisms, this study combines X-ray absorption near-edge structure (XANES) and X-ray magnetic circular dichroism (XMCD) techniques, complemented by density functional theory (DFT) calculations. Polarization-dependent X-ray absorption spectroscopy, encompassing XANES and XMCD, is a powerful technique for probing the local structures and magnetic properties of materials. It is element-selective, bulk-sensitive, and compatible with a wide range of experimental conditions. In this study, we used XANES and XMCD spectroscopies to investigate the local structures and magnetic properties of Fe and Ti in FeTiF6 × 6 H2O single crystals. XANES analysis revealed distinct local environments around Fe and Ti, providing insights into their coordination environments. Element-selective magnetization measurement at the Fe K-edge demonstrated that iron sites in the oxidation state Fe2+ have an unambiguous paramagnetic contribution to the magnetization along the b-axis. Notably, the absence of an XMCD signal at the Ti K-edge confirmed the absence of a magnetic moment in Ti atoms within the crystal. DFT calculations corroborate the experimental findings and provide insights into the electronic structure and magnetic interactions. The combined results provide a comprehensive understanding of the dynamic Jahn-Teller effect in FeTiF6 × 6 H2O single crystals, highlighting the significance of polarization-dependent X-ray absorption spectroscopy in unraveling the intricate magnetic behavior of such materials. This study contributes to the fundamental understanding of magnetism in these materials and paves the way for the development of novel magnetic materials with tailored properties.

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Держатели документа:
Synchrotron Radiation Facility SKIF, Boreskov Institute of Catalysis SB RAS, Kol’tsovo 630559 , Russia
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Institute of Chemistry, Far Eastern Branch of RAS, Vladivostok 690022, Russia

Доп.точки доступа:
Platunov, M. S.; Платунов, Михаил Сергеевич; Fedorova, N. A.; Федорова, Наталья А.; Pyastolova, Yu. V.; Пястолова, Юлия Валентиновна; Laptash, N. M.; Knyazev, Yu. V.; Князев, Юрий Владимирович; Tomilin, F. N.; Томилин, Феликс Николаевич; Dubrovskiy, A. A.; Дубровский, Андрей Александрович
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