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Transition metal catalyzed Fe–C coupling reactions in synthesis of dicarbonyl(2-thienylethynyl)(η5-cyclopentadienyl)iron complex: Spectroscopic, structure and electrochemical study / V. V. Verpekin, I. S. Ahremchik, A. D. Vasiliev [et al.] // Transit. Met. Chem. - 2020. - Vol. 45. - P. 589-594, DOI 10.1007/s11243-020-00413-9. - Cited References: 31. - This research was funded by a grant from the Russian Science Foundation (Project No. 18-73-00150) . - ISSN 0340-4285
Кл.слова (ненормированные):
Catalysis -- Catalysts -- Nuclear magnetic resonance spectroscopy -- Transition metals -- X ray powder diffraction
Аннотация: The new σ-alkynyl iron(II) complex Cp(CO)2Fe-C≡C-(2-C4H3S) was synthesized with application of several known approaches based on the transition metal (Pd/Cu–, Au–, Cu– and Pd–) catalyzed Fe–C coupling reactions of 2-ethynylthiophene or 2-[(trimethylsilyl)ethynyl]thiophene with cyclopentadienyliron dicarbonyl iodide. The yield of the complex in these reactions was found to strongly depend on the catalyst used. The conditions, catalysts, and reagents that provide the highest yields of the desired 2-thienylethynyl iron complex were determined. The complex was characterized by IR, 1H and 13C NMR spectroscopy. The molecular structure of Cp(CO)2Fe–C≡C-(2-C4H3S) established by X-ray diffraction analysis exhibits a three-leg piano stool geometry. The redox properties of the new complex were studied.

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Держатели документа:
Institute of Chemistry and Chemical Technology SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-24, Krasnoyarsk, 660036, Russian Federation
Institute of Physics SB RAS, Federal Research Center “Krasnoyarsk Science Center SB RAS”, Akademgorodok, 50-38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny prospekt, 79, Krasnoyarsk, 660041, Russian Federation
A. N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, ul. Vavilova 28, Moscow, 119991, Russian Federation

Доп.точки доступа:
Verpekin, V. V.; Ahremchik, I. S.; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Burmakina, G. V.; Kondrasenko, A. A.; Nedelina, T. S.; Kreindlin, A. Z.
}
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Single particle Raman spectroscopy analysis of the metal-organic framework DUT-8(Ni) switching transition under hydrostatic pressure / A. Krylov, I. Senkovska, S. Ehrling [et al.] // Chem. Commun. - 2020. - Vol. 56, Is. 59. - P. 8269-8272, DOI 10.1039/d0cc02491k. - Cited References: 40. - This work is financially supported by the Russian Foundation for Basic Research No18-02-00754 and German research foundation (FOR 2433, MOF-switches). The authors would like to thank Dr. V. Bon for support and scientific discussions . - ISSN 1364-548X
Аннотация: Experimental in situ observations of phase coexistence in switchable metal-organic frameworks are reported to provide a fundamental understanding of dynamic adsorbents that can change their pore structure in response to external stimuli. A prototypical flexible pillared layer framework DUT-8(Ni) (DUT = Dresden University of Technology) was studied under hydrostatic pressure by in situ Raman spectroscopy on single crystals. The closing transition of the open pore phase (op) containing DMF in the pores in silicon oil as a pressure transmitting fluid, as well as the closed pore phase (cp) to op transition under pressure in methanol, were studied. Phase coexistences during both transitions were observed.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Chair of Inorganic Chemistry I, Technische Universitat Dresden, Bergstrasse 66, 01069 Dresden, Germany
Siberian Federal University, Svobodny Prospect 79, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Senkovska, I.; Ehrling, S.; Maliuta, M.; Krylova, S. N.; Крылова, Светлана Николаевна; Slyusareva, E.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Kaskel, S.
}
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    Formation, evolution and characteristics of copper sulfide nanoparticles in the reactions of aqueous cupric and sulfide ions / Y. Mikhlin, V. Nasluzov, A. Ivaneeva [et al.] // Mater. Chem. Phys. - 2020. - Vol. 255. - Ст. 123600, DOI 10.1016/j.matchemphys.2020.123600. - Cited References: 74. - This research was supported by the Russian Foundation for Basic Research , project 18-03-00526a . We thank the ESRF for allocating beamtime, and the BM23 staff for their help during the experiments. Facilities of the Krasnoyarsk Regional Research Equipment Centre of SB RAS were employed in the work . - ISSN 0254-0584
   Перевод заглавия: Формирование, эволюция и свойства наночастиц сульфида меди, сформировавшихся в результате реакции между ионами меди и серы в водном растворе
Кл.слова (ненормированные):
Copper sulfide nanoparticles -- Polysulfide -- X-ray photoelectron spectroscopy -- X-ray absorption spectroscopy -- DFT+U
Аннотация: Colloidal copper sulfides produced in reactions of aqueous copper and sulfide ions are important for many materials applications, environment and mineral processing. Here, CuxS nanoparticles formed and aged at varying copper sulfate to sodium sulfide ratios were studied using in situ UV–vis–NIR spectroscopy, dynamic light scattering, X-ray absorption spectroscopy, ex situ TEM, X-ray photoelectron spectroscopy and Raman scattering, and DFT + U calculations. It was established that the ratio of aqueous Cu2+ to S2− ions of 1:2 is critical for the reaction, which yields disordered covellite-like 4–6 nm Cu0.7S nanoparticles comprised polysulfide species at this and higher sulfide concentrations; upon aging, the particles release sulfur and transform to chalcocite-like structure (Cu2-xS, x < 1). Conversely, at the “excess” of copper ions, Cu2-xS-type particles grew into 12–14 nm “covellitic” nanoparticles. The optical absorbance at 1100–1200 nm commonly attributed to localized surface plasmon resonance increased with time and was lowest for Cu2+/S2−= 1:2. DFT + U calculations found that polysulfide stabilizes copper-deficit covellite, while Cu vacancies in chalcocite are more favorable and destabilized by S–S bonding; the Fermi level energy increases and the hole density decreases with polysulfide formation. We believe that CuS2 clusters form initially, and following conversion of disulfide to polysulfide and then monosulfide ions rather than release of Cu determines the character of CuxS nanoparticles.

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Держатели документа:
Institute of Chemistry and Chemical Technology, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences, Akademgorodok, 50/24, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny Pr. 79, Krasnoyarsk, 660041, Russian Federation
European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, Grenoble, F-38042, France

Доп.точки доступа:
Mikhlin, Y. L.; Nasluzov, V.; Ivaneeva, A.; Vorobyev, S.; Likhatski, M.; Romanchenko, A.; Krylov, A. S.; Крылов, Александр Сергеевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Meira, D. M.
}
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    The structure of the metastable K18Ta5Zr5F63 phase / M. Boca, M. Molokeev, A. Rakhmatullin [et al.] // New J. Chem. - 2020. - Vol. 44, Is. 22. - P. 9264-9270, DOI 10.1039/d0nj02428g. - Cited References: 30. - Financial support from TGIR-RMN-THC Fr3050 CNRS for conducting the research is gratefully acknowledged. This work was supported by the Slovak Research and Development Agency under the contract no. APVV-15-0479. This work was financially supported by the Scientific Grant Agency of the Ministry of Education of the Slovak Republic and the Slovak Academy of Sciences, grant no. Vega 2/0024/20 . - ISSN 1144-0546
   Перевод заглавия: Струкрута метастабильной фазы K18Ta5Zr5F63
Кл.слова (ненормированные):
Fluorine compounds -- Geometry -- Nuclear magnetic resonance spectroscopy -- Prisms
Аннотация: A metastable phase K18Ta5Zr5F63 was prepared by molten salt synthesis of K2TaF7 and K2ZrF6 in a sealed Pt crucible. This is the first example of a structure of a fluoride complex compound containing both tantalum and zirconium as central atoms. The asymmetric part of the unit cell contains two Ta/Zr sites and one pure Zr site. The Ta1/Zr1 ion is coordinated by seven F ions forming one capped trigonal prism. The Ta2/Zr2 ion is coordinated by six F ions forming a trigonal prism, and this polyhedron is fully ordered. The Zr3 ion is coordinated by six F ions, which are disordered over two positions. All (Zr/Ta)Fn (n = 6–8) polyhedra are isolated from each other, although the ZrF6 units have shared faces, forming an infinite channel along the c-axis. 19F MAS NMR experiments agree with the proposed structural model, identifying all five central non-equivalent polyhedra. The K18Ta5Zr5F63 phase decomposes within several months to its initial components; this can be monitored by NMR, DSC and XRD experiments. Moreover, accelerated decomposition can be achieved by thermal treatment, resulting in the formation of a K3ZrF7 phase.

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Держатели документа:
Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, Bratislava, SK-845 36, Slovakia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok 50 bld. 38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Conditions Extremes et Materiaux, Haute Temperature et Irradiation, 1D avenue de la Recherche Scientifique CS 90055, Orleans Cedex 2, 45071, France

Доп.точки доступа:
Boca, M.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Rakhmatullin, A.; Kubikova, B.; Netriova, Z.
}
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Plotnikova, A. A.
Structural Characteristics and Processability of Sphalerite in Lead-Zinc Ore of the Gorevka Deposit / A. A. Plotnikova, V. I. Bragin, Y. V. Knyazev // J. Min. Sci. - 2019. - Vol. 55, Is. 6. - P. 995-1006, DOI 10.1134/S1062739119066381. - Cited References: 33 . - ISSN 1062-7391. - ISSN 1573-8736

РУБ Mining & Mineral Processing

Кл.слова (ненормированные):
Lead-zinc ore -- iron-bearing sphalerite -- pyrrhotine -- X-ray phase analysis -- micro-X-ray spectrum analysis -- high-gradient separation -- Mossbauer spectroscopy
Аннотация: The theoretical and experimental substantiation of the behavior of ferrous sphalerite in magnetic separation is given in terms of the Gorevka deposit ore. In sphalerite of this deposit, the content of isomorphous iron ranges as 4-9%. The Mossbauer spectroscopy showed the singlet and two doublet lines of iron, demonstrating separate arrays of iron atoms in sphalerite lattice, with formation of Fe-Fe pairs and clusters of three or more iron atoms. It is found that distribution of iron in sphalerite into three forms coincides for magnetic and nonmagnetic products of zinc concentrate separation. It is determined that magnetic separation undivides sphalerite grains by the isomorphous iron content but is governed by the genetic features of the deposit formation-association of sphalerite with magnetic minerals (pyrrhotine and siderite) and the absence of such associations in galena.

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Публикация на русском языке Плотникова А. А. Структурно-технологические характеристики сфалерита в свинцово-цинковых рудах Горевского месторождения [Текст] / А. А. Плотникова, В. И. Брагин, Ю. В. Князев // Физ.-техн. проблемы разраб. полез. ископаемых. - 2019. - № 6. - С. 152-164

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Siberian Branch, Krasnoyarsk Sci Ctr, Kiriensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Bragin, V. I.; Knyazev, Yu. V.; Князев, Юрий Владимирович
}
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Mode coupling in arrays of Al nanoparticles / A. E. Ershov, V. S. Gerasimov, R. G. Bikbaev [et al.] // J. Quant. Spectrosc. Radiat. Transf. - 2020. - Vol. 248. - Ст. 106961, DOI 10.1016/j.jqsrt.2020.106961. - Cited References: 81. - The reported study was funded by the grant of the President of Russian Federation (agreement 075-15-2019-676 ); the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science (Grant No.18-42-240013); the State contract with Siberian Federal University for scientific research; Russian Science Foundation project number 19-72-00066 (investigation of finite size effects) . - ISSN 0022-4073
Кл.слова (ненормированные):
Plasmonics -- Aluminum -- Surface lattice resonances
Аннотация: The mechanisms of coupling between the lattice modes of a two-dimensional (2D) array consisting of Al nanoparticles and the localized modes of individual Al nanoparticles have been studied in detail. The results were obtained employing the finite-difference time-domain method (FDTD) and the generalized Mie theory. It was shown that interactions of single particles with 2D lattice modes significantly change the extinction spectra depending on the particle radius and the lattice period. The Rayleigh anomalies of higher orders contribute to formation of hybrid modes resulting in increase of the extinction efficiency in short wavelength range of the spectrum. It was shown that high intensity magnetic modes are excited in aluminum nanoparticles arrays. The patterns of spatial electromagnetic field distribution at the frequencies of hybrid modes have been studied. We note that comprehensive understanding the mode coupling mechanisms in arrays paves the way for engineering different types of modern photonic devices with controllable optical properties.

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Держатели документа:
Institute of Computational Modeling SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
L.V. Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian State University of Science and Technology, Krasnoyarsk, 660014, Russian Federation

Доп.точки доступа:
Ershov, A. E.; Gerasimov, V. S.; Bikbaev, R. G.; Бикбаев, Рашид Гельмединович; Polyutov, S. P.; Karpov, S. V.; Карпов, Сергей Васильевич
}
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Temperature dependence of the spontaneous polarization, acoustic and strain anomalies in strontium barium niobate crystals of different chemical compositions probed by the second harmonic generation technique / A. M. Pugachev, I. V. Zaytseva, V. K. Malinovsky [et al.] // Ferroelectrics. - 2020. - Vol. 560, Is. 1. - P. 54-60, DOI 10.1080/00150193.2020.1722883. - Cited References: 19. - This work was supported by the Russian Foundation for Basic Research, projects no. 18-02-00399 and 19-42-543-016 and State assignment No AAAA-A17-117052410033-9. . - ISSN 0015-0193. - ISSN 1563-5112

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
SINGLE-CRYSTALS
RELAXOR
GROWTH
Кл.слова (ненормированные):
SBN-x crystals -- polar regions -- ferroelectric phase transition -- second harmonic generation -- Brillouin spectroscopy
Аннотация: In SrxBa1-xNb2O6 crystals (x = 0.33, 0.5, 0.61, and 0.75), temperature dependences of spontaneous polarization, strain, elastic modules, and second harmonic generation (SHG) signal are compared. It is revealed that SHG describes the temperature dependences of dipole moments in polar nanoregions in paraelectric phase. In the vicinity of the phase transition in paraelectric phase, SHG reflects the temperature behavior of relatively large and long-lived polar asymmetric regions as indicated by the presence of the intermediate temperature range on the temperature dependence of this nonlinear response.

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Держатели документа:
Russian Acad Sci, Inst Automat & Electrometry, Novosibirsk, Russia.
Kirensky Inst Phys Fed Res Ctr KSC SB RAS, Krasnoyarsk, Russia.
Siberian Fed Univ, Inst Engn Phys & Radioelect, Krasnoyarsk, Russia.
Russian Acad Sci, Prokhorov Gen Phys Inst, Moscow, Russia.

Доп.точки доступа:
Pugachev, A. M.; Zaytseva, I., V; Malinovsky, V. K.; Surovtsev, N., V; Gorev, M. V.; Горев, Михаил Васильевич; Ivleva, L. I.; Lykov, P. A.; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-02-00399, 19-42-543-016, AAAA-A17-117052410033-9]
}
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Core-hole localization and ultra-fast dissociation in SF6 / V. Ekholm, G. S. Chiuzbaian, C. Sathe [et al.] // J. Phys. B. - 2020. - Vol. 53, Is. 18. - Ст. 185101, DOI 10.1088/1361-6455/aba204. - Cited References: 36. - This work was supported by the Swedish Research Council (VR). The calculations were performed on resources provided by the Swedish National Infrastructure for Computing (SNIC). FG acknowledges support within the Russian Science Foundation (Project No. 16-12-10109) . - ISSN 0953-4075. - ISSN 1361-6455

РУБ Optics + Physics, Atomic, Molecular & Chemical
Рубрики:
X-RAY-EMISSION
   SYMMETRY-BREAKING
   AB-INITIO
   SPECTROSCOPY
   SPECTRA
Кл.слова (ненормированные):
SF6 -- resonant inelastic x-ray scattering -- symmetry selection rules -- ultrafast dynamics -- vibronic couplings
Аннотация: Resonant inelastic x-ray scattering spectra excited at the fluorine K resonances of SF6 have been recorded. While a small but significant propensity for electronically parity-allowed transitions is found, the observation of parity-forbidden electronic transitions is attributed to vibronic coupling that breaks the global inversion symmetry of the electronic wavefunction and localizes the core hole. The dependence of the scattering cross section on the polarization of the incident radiation and the scattering angle is interpreted in terms of local π/σ symmetry around the S–F bond. This symmetry selectivity prevails during the dissociation that occurs during the scattering process.

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Держатели документа:
Lund Univ, MAX IV Lab, Box 118, SE-22100 Lund, Sweden.
Uppsala Univ, Dept Phys & Astron, Box 516, SE-75120 Uppsala, Sweden.
Sorbonne Univ, F-75005 Paris, France.
CNRS, LCPMR, F-75005 Paris, France.
Synchrotron SOLEIL, LOrme Merisiers, BP 48, F-91192 Gif Sur Yvette, France.
Ctr Nacl Pesquisa Energia & Mat CNPEM, BR-10000 Campinas, Brazil.
Royal Inst Technol, Sch Biotechnol, Theoret Chem & Biol, S-10691 Stockholm, Sweden.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden.

Доп.точки доступа:
Ekholm, V.; Chiuzbaian, G. S.; Sathe, C.; Nicolaou, A.; Guarise, M.; Simon, M.; Jaouen, N.; Luning, J.; Hague, C. F.; Gel'mukhanov, F.; Гельмуханов, Фарис Хафизович; Odelius, M.; Bjorneholm, O.; Rubensson, J-E; Swedish Research Council (VR)Swedish Research Council; Russian Science FoundationRussian Science Foundation (RSF) [16-12-10109]
}
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    Ferroelastic phase transition in the family of double fluoride crystals by Raman spectroscopy / Y. V. Gerasimova, A. S. Krylov, A. N. Vtyurin [et al.] // Ferroelectrics. - 2020. - Vol. 568, Is. 1. - P. 185-190DOI 10.1080/00150193.2020.1713348. - Cited References: 14. - This research is supported by Russian Foundation for Basic Research under Grant No. 17-02-00920
   Перевод заглавия: Сегнетоэластический фазовый переход в семействе кристаллов двойных фторидов по данным спектроскопии комбинационного рассеяния света
Кл.слова (ненормированные):
Fluorides -- Raman spectra -- lattice disordering
Аннотация: In order to clarify ordering mechanisms of ferroic phase transitions in double fluoride salts (NH4)3SnF7, (NH4)3GeF7 and (NH4)3TiF7, their Raman scattering spectra have been studied in wide ranges of frequencies (20–3400 cm−1) and temperatures (8–410 K). Substitution of the central ion in the octahedron groups was found to change not only the phase transition types and sequences, but to modify the types of structural disorder as well, which is a special feature of these high-symmetry fluoride crystals.

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Держатели документа:
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
Institute of Chemistry, Far Eastern Branch of RAS, Vladivostok, Russian Federation

Доп.точки доступа:
Gerasimova, Yu. V.; Герасимова, Юлия Валентиновна; Krylov, A. S.; Крылов, Александр Сергеевич; Vtyurin, A. N.; Втюрин, Александр Николаевич; Laptash, N. M.; Krylova, S. N.; Крылова, Светлана Николаевна; European Meeting on Ferroelectricity(14 ; 2019 ; 14-19 July ; Lausanne, Switzerland)
}
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10.

Bikbaev, R. G.
Hybrid Tamm and surface plasmon polaritons in resonant photonic structure / R. G. Bikbaev, S. Y. Vetrov, I. V. Timofeev // J. Quant. Spectrosc. Radiat. Transf. - 2020. - Vol. 253. - Ст. 107156, DOI 10.1016/j.jqsrt.2020.107156. - Cited References: 58. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project No. 19-42-240004 and by a joint project of the Russian Foundation for Basic Research, project No. 19-52-52006, and the Taiwan Ministry of Science and Technology, project No. 108-2923E-009-003-MY3 . - ISSN 0022-4073
Кл.слова (ненормированные):
Tamm plasmon polariton -- Surface plasmon polariton -- Metal-dielectric nanocomposite -- Hybrid mode -- Optical sensor
Аннотация: Hybrid modes originating from the coupling of the Tamm and surface plasmon polaritons excited in a one-dimensional resonant photonic structure are demonstrated. The structure represents a photonic crystal bounded by a nanocomposite film consisting of a transparent matrix and silver nanoparticles uniformly distributed over its volume. In comparison with structures on planar metal films the volume concentration and shape of nanoparticles are of great help in configuring the hybrid mode properties, including their wavelength and splitting. Also the radiation incidence angle variation opens the possibility of fine-tuning the energy spectra of the structure. We demonstrate the high-sensitivity of optical sensors based on the resonant photonic structure.

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Держатели документа:
L.V. Kirensky Institute of Physics, Federal Research Center KSC SB RAS660036, Krasnoyarsk, Russian Federation
Siberian Federal University660041, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Vetrov, S. Ya.; Ветров, Степан Яковлевич; Timofeev, I. V.; Тимофеев, Иван Владимирович; Бикбаев, Рашид Гельмединович
}
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