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1.


   
    Ultrafine particles derived from mineral processing: A case study of the Pb-Zn sulfide ore with emphasis on lead-bearing colloids / Y. Mikhlin [et al.] // Chemosphere. - 2016. - Vol. 147. - P. 60-66, DOI 10.1016/j.chemosphere.2015.12.096. - Cited References: 47. - This research was supported by the Russian Science Foundation, Grant No. 14-17-00280. . - ISSN 0045-6535
   Перевод заглавия: Ультрадисперсные частицы, полученные при переработке минерального сырья: комплексный анализ колчеданной руды Pb-Zn и коллоидных частиц, содержащих свинец
РУБ Environmental Sciences
Рубрики:
GALENA DISSOLUTION
   METALLIC COPPER

   NANOPARTICLES

   SOIL

   ENVIRONMENT

   SEPARATION

   TRANSPORT

   FLOTATION

   WATER

   SIZE

Кл.слова (ненормированные):
Lead sulfide -- Lead-zinc ore -- Lead sulfide -- Ultrafine particles -- Aquatic nanoparticles
Аннотация: Although mining and mineral processing industry is a vast source of heavy metal pollutants, the formation and behavior of micrometer- and nanometer-sized particles and their aqueous colloids entered the environment from the technological media has received insufficient attention to date. Here, the yield and characteristics of ultrafine mineral entities produced by routine grinding of the Pb-Zn sulfide ore (Gorevskoe ore deposit, Russia) were studied using laser diffraction analysis (LDA), dynamic light scattering (DLS) and zeta potential measurement, microscopy, X-ray photoelectron spectroscopy, with most attention given to toxic lead species. It was revealed, in particular, that the fraction of particles less that 1 ?m in the ground ore typical reaches 0.4 vol. %. The aquatic particles in supernatants were micrometer size aggregates with increased content of zinc, sulfur, calcium as compared with the bulk ore concentrations. The hydrodynamic diameter of the colloidal species decreased with time, with their zeta potentials remaining about -12 mV. The colloids produced from galena were composed of 20-50 nm PbS nanoparticles associated with lead sulfate and thiosulfate, while the surface oxidation products at precipitated galena were largely lead oxyhydroxides. The size and zeta potential of the lead-bearing colloids decreased with time down to about 100 nm and from -15 mV to -30 mV, respectively. And, conversely, lead sulfide nanoparticles were mobilized before the aggregates during redispersion of the precipitates in fresh portions of water. The potential environmental impact of the metal-bearing colloids, which is due to the large-scale production and relative stability, is discussed. © 2015 Elsevier Ltd.

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Держатели документа:
Inst. of Chemistry and Chemical Technology, Siberian Branch of the Russian Academy of Sciences, Akademgorodok, 50/24, Krasnoyarsk, Russian Federation
Siberian Federal University, Svobodny pr. 79, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Mikhlin, Y.; Vorobyev, S.; Romanchenko, A.; Karasev, S.; Karacharov, A.; Zharkov, S. M.; Жарков, Сергей Михайлович
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2.


   
    Thermite synthesis and characterization of Co-ZrO2 ferromagnetic nanocomposite thin films / V. G. Myagkov [et al.] // J. Alloys Compd. - 2016. - Vol. 665. - P. 197-203, DOI 10.1016/j.jallcom.2015.12.257. - Cited References: 56. - This study was partially supported by the Russian Foundation for Basic Research (grants ##15-02-00948, 14-03-00515), by the Council for Grants of the President of the Russian Federation (SP-317.2015.1), and by the program of the Foundation for Assistance to Small Innovative Enterprises in Science and Technology (“UMNIK” program). The TEM studies were carried out using the facilities of Electron Microscopy Laboratory of Siberian Federal University and the Performance Service at Krasnoyarsk Scientific Center. . - ISSN 0925-8388
   Перевод заглавия: Термитный синтез и исследование ферромагнитных нанокомпозитных тонких пленок Co-ZrO2
РУБ Chemistry, Physical + Materials Science, Multidisciplinary + Metallurgy & Metallurgical Engineering
Рубрики:
SOLID-STATE SYNTHESIS
   PHASE-FORMATION

   ZrO2

   NANOPARTICLES

   TRANSPORT

   OXIDE

   MICROSTRUCTURE

   NANOTHERMITE

   FABRICATION

   PARTICLES

Кл.слова (ненормированные):
Thermite reactions -- Reactive films -- Ferromagnetic nanocomposite films -- ZrO2
Аннотация: Co-ZrO2 ferromagnetic nanocomposite thin films were successfully synthesized using a new thermite reaction between Zr and Co3O4 in layer geometry. The initial Zr/Co3O4 bilayers were obtained by the deposition of Zr layers onto Co3O4 films at room temperature. The process of mixing at the Zr/Co3O4 interface and synthesis of fine-crystalline Co and amorphous ZrO2 phases started at a temperature above the initiation temperature Tin ∼250 °C which did not depend on the bilayer thickness. For the bilayer thickness more than 300 nm high-temperature fcc-Co and cubic c-ZrO2 (or tetragonal t-ZrO2) phases were formed. For the bilayer thickness less than ∼50 nm stable low-temperature hexagonal hcp-Co and monoclinic m-ZrO2 phases were also present in the reaction product. A partial transformation from Co3O4 to CoO occurred after annealing at 300 °C. The secondary reaction between CoO and Zr started soon after Co3O4 had been converted to the CoO phase. After annealing at 500 °C more than 80% of Co was reduced and the final product contained Co nanoparticles above and below the superparamagnetic critical size embedded into a dielectric ZrO2 matrix. The synthesized Co-ZrO2 nanocomposite films possessed soft magnetic behavior, high magnetization and good chemical stability.

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Держатели документа:
Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Myagkov, V. G.; Мягков, Виктор Григорьевич; Zhigalov, V. S.; Жигалов, Виктор Степанович; Bykova, L. E.; Быкова, Людмила Евгеньевна; Zharkov, S. M.; Жарков, Сергей Михайлович; Matsynin, A. A.; Мацынин, Алексей Александрович; Volochaev, M. N.; Волочаев, Михаил Николаевич; Tambasov, I. A.; Тамбасов, Игорь Анатольевич; Bondarenko, G. N.; Бондаренко, Галина Николаевна
}
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3.


   
    Theoretical investigation of molecular and electronic structures of buckminsterfullerene-silicon quantum dot systems / A. S. Fedorov [et al.] // J. Phys. Chem. A. - 2016. - Vol. 120, Is. 49. - P. 9767-9775, DOI 10.1021/acs.jpca.6b06959. - Cited References:20. - The work was supported by Ministry of Education and Science of Russia (Russian-Japanese joined project, Agreement 14.613.21.0010, ID RFMEFI61314X0010). We are grateful to the Joint Supercomputer Center of Russian Academy of Sciences, Moscow and Siberian Supercomputer Center of SB RAS, Novosibirsk for the opportunity to use their computer clusters to perform the calculations. S.I. acknowledges partial support from a JST CREST grant. . - ISSN 1089-5639
РУБ Chemistry, Physical + Physics, Atomic, Molecular & Chemical
Рубрики:
Si
   NANOPARTICLES

   DYNAMICS

Аннотация: Density functional theory (DFT) and density functional tight binding (DFTB) molecular dynamics Density functional theory (DFT) and density functional tight binding (DFTB) molecular dynamics (DFTB/MD) simulations of embedding and relaxation of buckminsterfullerene C60 molecules chemisorbed on (001) and (111) surfaces and inside bulk silicon lattice were performed. DFT calculations of chemisorbed fullerenes on both surfaces show that the C60 molecule deformation was very small and the C60 binding energies were roughly ∼4 eV. The charge analysis shows that the C60 molecule charges on (001) and (111) surfaces were between −2 and −3.5 electrons, respectively, that correlates well with the number of C–Si bonds linking the fullerene molecule and the silicon surface. DFT calculations of the C60 molecule inside bulk silicon confirm that the C60 molecule remains stable with the deformation energy values of between 11 and 15 eV for geometries with different C60 configurations. The formation of some C–Si bonds causes local silicon amorphization and corresponding electronic charge uptake on the embedded fullerene cages. Charge analysis confirms that a single C60 molecule can accept up to 20 excessive electrons that can be used in practice, wherein the main charge contribution is located on the fullerene’s carbon atoms bonded to silicon atoms. These DFT calculations correlate well with DFTB/MD simulations of the embedding process. In this process, the C60 molecule was placed on the top of the Si(111) surface, and it was further exposed by a stream of silicon dimers, resulting in subsequent overgrowth by silicon.

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Держатели документа:
Siberian Branch RAS, Fed Res Ctr KSC, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, 79 Svobodny Prospect, Krasnoyarsk 660041, Russia.
Univ Bremen, Bremen Ctr Cormputat Mat Sci, D-28359 Bremen, Germany.
Nagoya Univ, Grad Sch Sci, Inst Transformat Biomol WPI ITbM, Nagoya, Aichi 4648602, Japan.
Nagoya Univ, Grad Sch Sci, Dept Chem, Nagoya, Aichi 4648602, Japan.
Atotech Deutschland GmbH, D-10553 Berlin, Germany.

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Kuzubov, A. A.; Кузубов, Александр Александрович; Kholtobina, A. S.; Kovaleva, E. A.; Knaup, J.; Irle, S.
}
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4.


   
    The Low-Temperature Magnetic State and Magnetic Ordering Temperature of ϵ-Fe2O3 Iron Oxide Nanoparticles / A. Dubrovskiy [et al.] // IEEE Magn. Lett. - 2019. - Vol. 10. - Ст. 6110103, DOI 10.1109/LMAG.2019.2956674. - Cited References: 22 . - ISSN 1949-307X
Рубрики:
Magnetic resonance
   Magnetic hysteresis

   Temperature distribution

   Saturation magnetization

   Nanoparticles

   Perpendicular magnetic anisotropy

Кл.слова (ненормированные):
ε-Fe2O3 nanoparticles -- magnetic transition -- FMR spectra
Аннотация: The ϵ-Fe2O3 iron oxide polymorph is a well-known magnetic material with a complex magnetic structure, which undergoes a series of magnetic transitions in different temperature ranges. However, the ϵ-Fe2O3 phase diagram is still unclear. We report on the magnetic properties of a sample consisting of ϵ-Fe2O3 nanoparticles with an average size of 8 nm embedded in a SiO2 xerogel matrix without an admixture of foreign phases. Along with the features typical of the well-known ϵ-Fe2O3 magnetic transition in the temperature range 80–150 K, the temperature dependence of magnetization M(T) of ϵ-Fe2O3 includes other low-temperature anomalies. In an external field of H = 70 kOe, there is a noticeable temperature hysteresis of magnetization at 50–90 K, and near T ≈ 50 K, the M(T) curves have a characteristic bending, which may be indicative of an additional magnetic transition. The ferromagnetic resonance spectra shows that, near 500 K, a magnetic phase transition occurs, which was previously thought to be a transition to the paramagnetic state. An analysis of the temperature dependence of the ferromagnetic resonance spectra shows that the magnetically ordered phase in ϵ-Fe2O3 exists up to about 800 K.

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Держатели документа:
Kirensky Institute of Physics SB RAS, 133887 Krasnoyarsk, Russian Federation
Boreskov Institute of Catalysis SB RAS, 104675 Novosibirsk, Russian Federation

Доп.точки доступа:
Dubrovskiy, A. A.; Дубровский, Андрей Александрович; Semenov, S. V.; Семёнов, Сергей Васильевич; Knyazev, Yu. V.; Князев, Юрий Владимирович; Popkov, S. I.; Попков, Сергей Иванович; Yakushkin, S.; Kirillov, V.; Martyanov, O.; Balaev, D. A.; Балаев, Дмитрий Александрович
}
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5.


   
    The influence of oxygen concentration on the formation of CuO and Cu2O crystalline phases during the synthesis in the plasma of low pressure arc discharge / A. V. Uschakov [et al.] // Vacuum. - 2016. - Vol. 128. - P. 123-127, DOI 10.1016/j.vacuum.2016.03.025. - Cited References: 19. - This study was supported by the Russian Foundation for Basic Research. (Project No 15-08-02132). . - ISSN 0042-207X
   Перевод заглавия: Влияние концентрации кислорода на формирование кристаллических фаз CuO и Cu2O в процессе синтеза в плазме дугового разряда низкого давления
РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
Nanoparticles
   Oxide

Кл.слова (ненормированные):
Oxides -- Vapor deposition -- X-ray diffraction -- Transmission electron microscopy (TEM) -- Catalytic properties
Аннотация: This paper describes the synthesis of copper oxide nanoparticles with different percentages of CuO and Cu2O phases. It was achieved by the control of the percentage of oxygen in the gas mixture (N2 + O2) in a plasma-chemical process of evaporation-condensation by means of low-pressure arc discharge. In all the experiments, the pressure in the plasma-chemical reactor remained constant at 60 Pa. By means of X-ray diffraction (XRD), high resolution transmission electron microscopy (HRTEM), energy-dispersive X-ray spectroscopy (EDS), Fourier transform infrared spectroscopy (FTIR) it was found that the average particle size was 6 nm, and Cu2O phase content decreases with increasing oxygen content in the gas mixture. High photocatalytic properties of Cu2O powder were shown by the example of the reaction of the methyl orange dye decomposition in water solution. The problems, associated with the performance of this method and the formation of crystalline phases, are discussed.

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Держатели документа:
Siberian Federal University, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk, Russian Federation
Krasnoyarsk Scientific Center of the Siberian Branch of the Russian Academy of Science, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Russian Academy of Sciences, Russian Federation

Доп.точки доступа:
Uschakov, A. V.; Karpov, I. V.; Lepeshev, A. A.; Zharkov, S. M.; Жарков, Сергей Михайлович
}
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6.


   
    The exchange interaction effects on magnetic properties of the nanostructured CoPt particles / S. V. Komogortsev [et al.] // J. Magn. Magn. Mater. - 2016. - Vol. 401. - P. 236-241, DOI 10.1016/j.jmmm.2015.10.041. - Cited References: 55. - The work has been partially supported by RFBR Grants 15-08-06673, 14-03-00411, 14-03-00129, 15-42-0417115 and it is partly performed in Siberian Federal University within the state contract of the Russian Federation Ministry of Education and Science for 2014-2016 (project number 1792) . - ISSN 0304-8853
   Перевод заглавия: Влияния обменного взаимодействия на магнитные свойства наноструктурированных частиц CoPt
РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
CLUSTER BEAM DEPOSITION
   BULK MAGNETS

   NANOCRYSTALLINE FERROMAGNETS

   REMANENCE ENHANCEMENT

   THIN-FILMS

   COERCIVITY

   MICROSTRUCTURE

   NANOPARTICLES

   IRON

   SYSTEM

Аннотация: Various manifestations of the exchange interaction effects in magnetization curves of the CoPt nanostructured particles are demonstrated and discussed. The inter-grain exchange constant A in the sponge-like agglomerates of crystallites is estimated as A=(7±1) pJ/m from the approach magnetization to saturation curves that is in good agreement with A=(6.6±0.5) pJ/m obtained from Bloch T 3/2 law. The fractal dimensionality of the exchange coupled crystallite system in the porous media of the disordered CoPt alloy d=(2.60±0.18) was estimated from the approach magnetization to saturation curve. Coercive force decreases with temperature as Hc~T 3/2 which is assumed to be a consequence of the magnetic anisotropy energy reduction due to the thermal spin wave excitations in the investigated CoPt particles. © 2015 Elsevier B.V. All rightsreserved.
Демонстрируются и обсуждаются различные проявления эффектов обменного взаимодействия в кривых намагниченности наноструктуированных частиц CoPt. Межзеренная обменная константа А в агломератах губчатой структуры кристаллитов оценивается как /A/=(7±1) pJ/m из кривых приближения намагниченности к насыщению, это значение находится в хорошем согласии с /A/=(6.6±0.5) pJ/m, полученным из закона /T/. /2 Блоха. Размерность фрактала обменно-соединенных кристаллических систем в пористой среды неупорядоченного сплава CoPt /d/=(2.60±0.18) оценивалась из кривых приближения намагниченности к насыщению. Коэрцитивная сила уменьшается с температурой по закону /H_c /~/T/. /2 , который, как предполагается, есть следствие уменьшения энергии магнитной анизотропии из-за теплового возбуждения спиновых волн в изучаемых частицах CoPt.

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Держатели документа:
Kirensky Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Nikolaev Institute of Inorganic Chemistry, SB RAS, Novosibirsk, Russian Federation
Novosibirsk State University, Novosibirsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Komogortsev, S. V.; Комогорцев, Сергей Викторович; Iskhakov, R. S.; Исхаков, Рауф Садыкович; Zimin, A. A.; Зимин, А. А.; Filatov, E. Y.; Korenev, S. V.; Shubin, Yu. V.; Chizhik, N. A.; Yurkin, G. Yu.; Юркин, Глеб Юрьевич; Eremin, E. V.; Еремин, Евгений Владимирович
}
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7.


   
    The antitumor effect of magnetic nanodisks and DNA aptamer conjugates / P. D. Kim [et al.] // Dokl. Biochem. Biophys. - 2016. - Vol. 466, Is. 1. - P. 66-69, DOI 10.1134/S1607672916010154. - Cited References:7. - This work was supported by the Russian Science Foundation (project no. 14-15-00805). . - ISSN 1607-6729. - ISSN 1608-3091
РУБ Biochemistry & Molecular Biology + Biophysics
Рубрики:
Nanoparticles
   Cells

Аннотация: Here we describe a method of forming large arrays (up to 109 pieces) of free magnetic Ni-nanodisks 50 nm thick coated on both sides with layers of 5 nm thick Au. The antitumor effect of the magnetic nickel gold-coated nanodisks and DNA aptamer conjugates was evaluated in vivo and in vitro. Under the influence of rotating magnetic field, the studied nanodisks can cause the death of Ehrlich ascites carcinoma cells.

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Публикация на русском языке Противоопухолевый эффект конъюгатов магнитных нанодисков с ДНК-аптамерами [Текст] / П. Д. Ким [и др.] // Докл. Акад. наук : Наука, 2016. - Т. 466 № 5. - С. 616-619

Держатели документа:
Russian Acad Sci, Siberian Branch, Krasnoyarsk Res Ctr, Krasnoyarsk 660036, Russia.
Voinoyasenetskii State Med Univ, Minist Hlth Russian Federat, Ul Partizana Zheleznyaka 1, Krasnoyarsk 660022, Krasnoyarsk Kra, Russia.
Siberian Fed Univ, Svobodnyi Pr 79, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, Inst Semicond Phys, Pr Akad Lavrenteva 13, Novosibirsk 630090, Russia.
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.
Astafev Krasnoyarsk State Pedag Univ, Ul A Lebedevoi 89, Krasnoyarsk 660049, Russia.

Доп.точки доступа:
Kim, P. D.; Ким, Пётр Дементьевич; Zamay, S. S.; Замай С. С.; Zamay, T. N.; Prokopenko, V. S.; Kolovskaya, O. S.; Zamay, G. S.; Princ, V. Ya.; Seleznev, V. A.; Komonov, A. I.; Spivak, E. A.; Rudenko, R. Y.; Руденко, Роман Юрьевич; Dubinina, A. V.; Komarov, A. V.; Denisenko, V. V.; Komarova, M. A.; Sokolov, A. E.; Соколов, Алексей Эдуардович; Narodov, A. A.; Zjivaev, V. P.; Zamay, A. S.; Russian Science Foundation [14-15-00805]
}
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8.


   
    Synthesis, crystal structure, and enhanced luminescence of garnet-type Ca3Ga2Ge3O12:Cr3+ by codoping Bi3+ / C. Y. Liu [et al.] // J. Am. Ceram. Soc. - 2015. - Vol. 98, Is. 6. - P. 1870-1876, DOI 10.1111/jace.13553. - Cited References:24. - This work was supported by the National Natural Science Foundations of China (grant nos. 51002146, 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), Beijing Youth Excellent Talent Program (YETP0635), the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306) and Fundamental Research Funds for the Central Universities (FRF-TP-14-005A1). . - ISSN 0002. - ISSN 1551-2916
   Перевод заглавия: Синтез, кристаллическая структура и улучшенная люминесценция граната Ca3Ga2Ge3O12:Cr3+ содопированного Bi3+
РУБ Materials Science, Ceramics
Рубрики:
LIGHT-EMITTING-DIODES
   INFRARED PERSISTENT LUMINESCENCE

   ENERGY-TRANSFER

   PHOSPHOR

   RED

   NANOPARTICLES

   EFFICIENCY

Аннотация: Garnet-type compound Ca3Ga2Ge3O12 and Cr3+-doped or Cr3+/Bi3+ codped Ca3Ga2Ge3O12 phosphors were prepared by a solid-state reaction. The crystal structure of Ca3Ga2Ge3O12 host was studied by X-ray diffraction (XRD) analysis and further determined by the Rietveld refinement. Near-infrared (NIR) photoluminescence (PL) and long-lasting phosphorescence (LLP) emission can be observed from the Cr3+-doped Ca3Ga2Ge3O12 sample, and the enhanced NIR PL emission intensity and LLP decay time can be realized in Cr3+/Bi3+ codped samples. The optimum concentration of Cr3+ in Ca3Ga2Ge3O12 phosphor was about 6 mol%, and optimum Bi3+ concentration induced the energy-transfer (ET) process between Bi3+ and Cr3+ ions was about 30 mol%. Under different excitation wavelength from 280 to 453 nm, all the samples exhibit a broadband emission peaking at 739 nm and the intensity of NIR emission increases owing to the ET behavior from Bi3+ to Cr3+ ions. The critical ET distance has been calculated by the concentration-quenching method. The thermally stable luminescence properties were also studied and the introduction of Bi3+ can also improve the thermal stability of the NIR emission.

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Держатели документа:
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China.
China Univ Geosci, Sch Mat Sci & Technol, Beijing 100083, Peoples R China.
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Liu, Chengyin; Xia, Zhiguo; Molokeev, M. S.; Молокеев, Максим Сергеевич; Liu, Quanlin
}
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9.


   
    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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    Structural and magnetic resonance investigations of CuCr2S4 nanoclusters and nanocrystals / A. I. Pankrats [et al.] // J. Appl. Phys. - 2014. - Vol. 116, Is. 5. - Ст. 54302, DOI 10.1063/1.4891993. - Cited References: 26. - The work was supported by a Grant CRDF-SB RAS "New Nano-size and Layered Cu-containing Sulphides for Electronics" RUP1-7054-KR-11, N 16854. S.M.Z. acknowledges support from the Ministry of education and science of the Russian Federation (in the framework of the state assignment for SFU for 2014). . - ISSN 0021-8979. - ISSN 1089-7550
РУБ Physics, Applied
Рубрики:
SUPERPARAMAGNETIC RESONANCE
   NANOPARTICLES

   GLASS

   BIOMEDICINE

   PARTICLES

   SPINELS

Аннотация: Nanoclusters and nanocrystals of the room temperature magnetic spinel CuCr2S4 synthesized using a facile solution-based method have been examined by transmission electron microscopy, magnetic measurements, and magnetic resonance over a wide frequency range 9.6–80 GHz and at temperatures down to 4.2 K. Decreasing of the resonance field and broadening of the resonance lines below 50 K for both samples are due to the freezing of magnetic moments of nanocubes and nanocrystalline particles constituting nanoclusters. The effective fields of averaged magnetic anisotropy (HA)≌2.4 kOe are similar for both nanopowder samples as estimated from resonance measurements at T = 4.2 K. An additional blocking temperature T b ≅ 300 K appears in nanoclusters due to freezing of the magnetic moment of the entire cluster as a whole. Below this blocking temperature, the magnetic dipolar field acting in boundary areas of interacting constituent nanocrystals is responsible for the additional low-field resonance line observed in the resonance spectra of nanoclusters at X-band.

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Держатели документа:
SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Alabama, MINT Ctr, Tuscaloosa, AL 35487 USA

Доп.точки доступа:
Pankrats, A. I.; Панкрац, Анатолий Иванович; Vorotynov, A. M.; Воротынов, Александр Михайлович; Tugarinov, V. I.; Тугаринов, Василий Иванович; Zharkov, S. M.; Жарков, Сергей Михайлович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Abramova, G. M.; Абрамова, Галина Михайловна; Zeer, G. M.; Ramasamy, K.; Gupta, A.; Grant CRDF-SB RAS "New Nano-size and Layered Cu-containing Sulphides for Electronics" [RUP1-7054-KR-11, 16854]; Ministry of education and science of the Russian Federation
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