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Application of Raman spectroscopy for identification of rinneite (K3NaFeCl6) in inclusions in minerals / S. Grishina, P. Kodera, S. Goryainov [et al.] // J. Raman Spectrosc. - 2020. - Vol. 51, Is. 12. - P. 2505-2516, DOI 10.1002/jrs.6005. - Cited References: 55. - Russian Foundation for Basic Research, Grant/Award Numbers: 18-05-00682, 18-05-00682; European Regional Development Fund, Grant/Award Number: ITMS 26240220086; Vedecka Grantova Agentura MSVVaS SR a SAV, Grant/Award Number: 1/0313/20 . - ISSN 0377-0486. - ISSN 1097-4555

РУБ Spectroscopy
Рубрики:
SALT MELT
   IRON
   DEPOSIT
   FLUIDS
   TRANSFORMATIONS
   FERRIHYDRITE
Кл.слова (ненормированные):
daughter mineral -- Fe-oxyhydroxides -- fluid inclusion -- rinneite -- weathering
Аннотация: Solid daughter phases in fluid and salt melt inclusions in minerals provide important clues to characterization of mineral‐forming processes. The analysis of the fluid inclusions often requires the exposure of the daughter minerals. Rinneite (K3NaFeCl6), which is a hygroscopic mineral, decomposes in air and cannot thus be identified by conventional methods. A combined approach has been applied for investigation of synthetic and natural rinneite to acquire its diagnostic Raman spectrum for a nondestructive identification. We used natural rinneite inclusions in halite, suitable for applying a complex of methods, to clear up the reference spectrum. Improved high‐resolution X‐ray diffraction (XRD) data obtained from natural rinneite inclusion are comparable with that of previously published, with similar unit cell dimensions. Polarized Raman spectra of natural inclusions were obtained using different geometries and polarization of the incident and scattered light. Interpretation of experimental Raman spectra was performed within the framework of lattice dynamics simulations and group analysis. Individual spectral bands are interpreted in terms of Raman‐active vibrational modes of K3NaFeCl6 structural units. Raman spectrum of synthetic rinneite with main peaks at 75, 91, 103, 143, 167, 171, 187, and 239 cm−1 agrees well with the spectra of rinneite inclusions in halite from the Nepa potash deposit and rinneite daughter minerals in salt melt inclusions hosted by quartz veinlets from the porphyry gold systems in the Central Slovakia Volcanic Field. This provides a firm basis for any future identification of this mineral worldwide, using nondestructive Raman spectroscopy.

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Держатели документа:
Russian Acad Sci, Sobolev Inst Geol & Mineral, Dept Mineral, Siberian Branch, Novosibirsk, Russia.
Comenius Univ, Dept Econ Geol, Fac Nat Sci, Bratislava, Slovakia.
Kirensky Inst Phys, Mol Spect Lab, Krasnoyarsk, Russia.
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk, Russia.
Novosibirsk State Univ, Dept Geol, Novosibirsk, Russia.
Slovak Acad Sci, Inst Inorgan Chem, Bratislava, Slovakia.
Russian Acad Sci, Inst Geol Ore Deposits Petrog Mineral & Geochem, Moscow, Russia.

Доп.точки доступа:
Grishina, Svetlana; Kodera, Peter; Goryainov, Sergey; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Seryotkin, Yurii; Simko, Frantisek; Polozov, Alexander G.; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-05-00682]; European Regional Development FundEuropean Union (EU) [ITMS 26240220086]; Vedecka Grantova Agentura MSVVaS SR a SAV [1/0313/20]
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Exploration of the structural and vibrational properties of the ternary molybdate Tl5BiHf(MoO4)6with isolated MoO4 units and Tl+ conductivity / V. Grossman, S. V. Adichtchev, V. V. Atuchin [et al.] // Inorg. Chem. - 2020. - Vol. 59, Is. 17. - P. 12681-12689, DOI 10.1021/acs.inorgchem.0c01762. - Cited References: 69. - This study was supported by the Russian Science Foundation (19-42-02003, in the part of conceptualization). The study was also funded by the RFBR according to research projects 18-08-00985, 18-08-00799, and 18-03-00557. This study was carried out within the state assignment of the FASO of Russia (Theme No. 0339-2016-0007) . - ISSN 0020-1669
Аннотация: The phase relations in the subsolidus region of the Tl2MoO4–Bi2(MoO4)3–Hf(MoO4)2 system were studied with the “intersecting cuts” method. The formation of the novel ternary molybdate Tl5BiHf(MoO4)6 is found in this ternary system. The compound has a phase transition at Tpt = 731 K (ΔH = −3.15 J/g) and melts at Tm = 871 K (ΔH = −41.71 J/g), as determined by a thermal analysis. Tl5BiHf(MoO4)6 single crystals were obtained by the spontaneous nucleation method. The crystal structure of Tl5BiHf(MoO4)6 was revealed by structure analysis methods. This molybdate crystallizes in the trigonal space group R3̅c with the unit cell parameters a = 10.6801(4) Å, c = 38.5518(14) Å, V = 3808.3(2) Å3, and Z = 6. The vibrational characteristics of Tl5BiHf(MoO4)6 were determined by Raman spectroscopy. The Tl5BiHf(MoO4)6 conductivity was measured at frequencies of 0.1, 1.0, and 10 kHz in the temperature range of 293–773 K; in this temperature range, the conductivity level was 10–12–10–7 S/cm.

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Держатели документа:
Laboratory of Oxide Systems, Baikal Institute of Nature Management, SB RAS, Ulan-Ude, 670047, Russian Federation
Laboratory of Condensed Matter Spectroscopy, Institute of Automation and Electrometry, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Buryat State University, Ulan-Ude, 670000, Russian Federation
Laboratory of Crystal Chemistry, Institute of Inorganic Chemistry, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory for Research Methods in Composition and Structure of Functional Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660079, Russian Federation

Доп.точки доступа:
Grossman, V.; Adichtchev, S. V.; Atuchin, V. V.; Bazarov, B. G.; Bazarova, J. G.; Kuratieva, N.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Pervukhina, N. V.; Surovtsev, N. V.
}
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    Raman study of 3.65 A-phase MgSi(OH)6 under high pressure and the bands assignment / U. Borodina, S. Goryainov, A. Oreshonkov [et al.] // High Pressure Res. - 2020. - Vol. 40. Is. 4. - P. 495-510, DOI 10.1080/08957959.2020.1830078. - Cited References: 43. - This work was supported by the Russian Federation state assignment of Institute of Geology and Mineralogy of SB RAS and Institute of Physics of Federal Research Center KSC SB RAS and the Russian Foundation for Basic Research (Grant No. 18-05-00966) . - ISSN 0895-7959
   Перевод заглавия: Изучение 3.65 А-фазы MgSi(OH)6 под высоким давлением методом спектроскопии комбинационного рассеяния света и интерпретация спектральных полос
Кл.слова (ненормированные):
3.65 Å-phase -- dense hydrous magnesium silicates -- Raman spectra -- high pressure -- six-coordinated silicon
Аннотация: 3.65 Å-phase (or hydroxide-perovskite), MgSi(OH)6, is a representative of dense hydrous magnesium silicates (DHMS) with maximum water content (up to ∼35 wt.% H2O) and thus is of interest as one of the largest repositories of water among all the known hydrous phases. Sample of 3.65 Å-phase, grown in DIA-type multianvil apparatus, was studied by Raman spectroscopy under pressure up to ∼7 GPa with diamond anvil cell. Interpretation of the Raman spectrum was carried out using lattice-dynamical simulations within ab initio DFT method (CASTEP code). Additionally, OH-stretching bands are analyzed with two phenomenological models: empirical model by Novak and Libowitzky, using correlation between O–O distance and the wavenumber of the OH-stretching band, and theoretical model, using double Morse potentials of hydrogen bond O–H···O. Upon the pressure increase, octahedral and bending δ(ОН) vibrations exhibit linear positive pressure shift, whereas wavenumbers of the ОН-stretching modes show inverse pressure dependence.

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Держатели документа:
Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, Novosibirsk, Russian Federation
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Geology and Geophysics, Novosibirsk State University, Novosibirsk, Russian Federation

Доп.точки доступа:
Borodina, U.; Goryainov, S.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Shatskiy, A.; Rashchenko, S.
}
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    Microwave-employed sol–gel synthesis of scheelite-type microcrystalline AgGd(MoO4)2:Yb3+/Ho3+ upconversion yellow phosphors and their spectroscopic properties / C. S. Lim, A. Aleksandrovsky, V. Atuchin [et al.] // Crystals. - 2020. - Vol. 10, Is. 11. - Ст. 1000. - P. 1-14, DOI 10.3390/cryst10111000. - Cited References: 58. - This study was supported by the Research Program through the Campus Research Foundation funded by Hanseo University in 2020 (201Yunghap09) . - ISSN 2073-4352
   Перевод заглавия: Микроволновый золь-гель синтез микрокристаллических апконверсионных желтых люминофоров AgGd(MoO4)2: Yb3+/ Ho3+ со структурой типа шеелита и их спектроскопические свойства
Кл.слова (ненормированные):
Microwave sol–gel -- Double molybdate -- Yellow phosphors -- Upconversion -- Spectroscopic properties
Аннотация: AgGd(MoO4)2:Ho3+/Yb3+ double molybdates with five concentrations of Ho3+ and Yb3+ were synthesized by the microwave employed sol–gel based process (MES), and the crystal structure variation, concentration effects, and spectroscopic characteristics were investigated. The crystal structures of AgGd1−x−yHoxYby(MoO4)2 (x = 0, 0.05; y = 0, 0.35, 0.4, 0.45, 0.5)at room temperature were determined in space group I41/a by Rietveld analysis. Pure AgGd(MoO4)2 has a scheelite-type structure with mixed occupations of (Ag,Gd) sites and cell parameters a = 5.24782 (11) and c = 11.5107 (3) Å, V = 317.002 (17) Å3, Z = 4. In doped samples, the sites are occupied by a mixture of (Ag,Gd,Ho,Yb) ions, which provides a linear cell volume decrease with the doping level increase. Under the excitation at 980 nm, AGM:0.05Ho,yYb phosphors exhibited a yellowish green emission composed of red and green emission bands according to the strong transitions 5F5 → 5I8 and 5S2/5F4 → 5I8 of Ho3+ ions. The evaluated photoluminescence and Raman spectroscopic results were discussed in detail. The upconversion intensity behavior dependent on the Yb/Ho ratio is explained in terms of the optimal number of Yb3+ ions at the characteristic energy transfer distance around the Ho3+ ion.

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Department of Aerospace Advanced Materials Engineering, Hanseo University, Seosan, 31962, South Korea
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Lim, C. S.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Atuchin, V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич
}
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Synthesis and luminescent properties of (RE0.95Ln0.05)2O2S (RE = La, Y; Ln = Ho, Tm) / E. I. Sal'nikova, Y. G. Denisenko, I. E. Kolesnikov [et al.] // J. Solid State Chem. - 2021. - Vol. 293. - Ст. 121753, DOI 10.1016/j.jssc.2020.121753. - Cited References: 33 . - ISSN 0022-4596
Кл.слова (ненормированные):
Rare earth oxysulfides -- Synthesis -- Rietveld -- Luminescence -- Lifetime -- Quantum yield
Аннотация: Solid solutions of oxysulfides (RE0.95Ln0.05)2O2S (RE = La, Y; Ln = Ho, Tm) were obtained by hydrogen reduction of the co-precipitated sulfates followed by sulfidation of the reaction products. The crystal chemical characteristics of the obtained compounds were refined by the Rietveld method. Morphological certification of particles in the dynamics of synthesis was performed. Most of the particles produced by chemical reactions have a cut that indicates the formation of a compound with a hexagonal syngony with angles of 60 and 120°. This indicates that the thermal effect of gaseous reagents H2, H2S on sulfates leads to heterogeneous reactions of thermal dissociation and the formation of new phases. Steady state luminescence properties displayed characteristic sharp bands corresponding to 4f-4f transitions. Luminescence decay curves of all studied samples showed monoexponential decay with microsecond and hundreds microsecond lifetimes depending on doping ions. Calculated color coordinates of Ho3+ and Tm3+-doped powders make them promising candidates to be used as phosphors.

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Держатели документа:
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Komissarov Department of General Chemistry, Northen Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Center for Optical and Laser Materials Research, St. Petersburg State University, St. Petersburg, 199034, Russian Federation
Department of Physics, Lappeenranta University of Technology LUT, Lappeenranta, 53850, Finland
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation
Laboratory of Electron and Probe Microscopy, Tyumen State University, Tyumen, 625003, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Sal'nikova, E. I.; Denisenko, Y. G.; Kolesnikov, I. E.; Lahderanta, E.; Andreev, O. V.; Azarapin, N. O.; Basova, S. A.; Gubin, A. A.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич
}
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    Synthesis of samarium oxysulfate Sm2O2SO4 in the high-temperature oxidation reaction and its structural, thermal and luminescent properties / Y. G. Denisenko, E. I. Sal'nikova, S. A. Basova [et al.] // Molecules. - 2020. - Vol. 25, Is. 6. - Ст. 1330, DOI 10.3390/molecules25061330. - Cited References: 56. - This research was funded by the Russian Foundation for Basic Research (Grants 18-02-00754, 18-32-20011) and Russian Science Foundation (project 19-42-02003). . - ISSN 1420-3049
   Перевод заглавия: Синтез оксисульфата самария Sm2O2SO4 в реакции высокотемпературного окисления и его структурные, термические и люминесцентные свойства

РУБ Biochemistry & Molecular Biology + Chemistry, Multidisciplinary
Рубрики:
RARE-EARTH SULFATES
   SPECTROSCOPIC PROPERTIES
   OXYGEN-STORAGE
   LN
   LA
Кл.слова (ненормированные):
samarium -- oxysulfate -- structure -- luminescence -- thermochemistry
Аннотация: The oxidation process of samariumoxysulfide was studied in the temperature range of 500–1000 °C. Our DTA investigation allowed for establishing the main thermodynamic (∆Hºexp = −654.6 kJ/mol) and kinetic characteristics of the process (Ea = 244 kJ/mol, A = 2 × 1010). The enthalpy value of samarium oxysulfate (ΔHºf (Sm2O2SO4(monocl)) = −2294.0 kJ/mol) formation was calculated. The calculated process enthalpy value coincides with the value determined in the experiment. It was established that samarium oxysulfate crystallizes in the monoclinic symmetry class and its crystal structure belongs to space group C2/c with unit cell parameters a = 13.7442 (2), b = 4.20178 (4) and c = 8.16711 (8)Å, β = 107.224 (1)°, V = 450.498 (9)Å3, Z = 4. The main elements of the crystalline structure are obtained and the cation coordination environment is analyzed in detail. Vibrational spectroscopy methods confirmed the structural model adequacy. The Sm2O2SO4 luminescence spectra exhibit three main bands easily assignable to the transitions from 4G5/2 state to 6H5/2, 6H7/2, and 6H9/2 multiplets.

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Держатели документа:
Ind Univ Tyumen, Dept Gen & Special Chem, Tyumen 625000, Russia.
Tyumen State Univ, Inst Chem, Tyumen 625003, Russia.
Northen Trans Ural Agr Univ, Dept Gen Chem, Tyumen 625003, Russia.
RAS, Fed Res Ctr, Kirensky Inst Phys, KSC,SB,Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Sch Engn Phys & Radioelect, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB,Lab Mol Spect, Krasnoyarsk 660036, Russia.
RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB,Lab Coherent Opt, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia.
Siberian Fed Univ, Sch Engn & Construct, Krasnoyarsk 660041, Russia.
RAS, Inst Semicond Phys, Lab Opt Mat & Struct, SB, Novosibirsk 630090, Russia.
Novosibirsk State Univ, Lab Semicond & Dielectr Mat, Novosibirsk 630090, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
Tyumen State Univ, Res Resource Ctr, Nat Resource Management & Physicochem Res, Tyumen 625003, Russia.
RAS, Inst Solid State Chem, Lab Chem Rare Earth Cpds, UB, Ekaterinburg 620137, Russia.

Доп.точки доступа:
Denisenko, Yu. G.; Sal'nikova, E. I.; Basova, S. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Atuchin, V. V.; Volkova, S. S.; Khritokhin, N. A.; Andreev, O. V.; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-02-00754, 18-32-20011]; Russian Science FoundationRussian Science Foundation (RSF) [19-42-02003]
}
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Erratum to: fabrication of microcrystalline NaPbLa(WO4)3:Yb3+/Ho3+ phosphors and their upconversion photoluminescent characteristics (vol 29, pg 741, 2019) / C. S. Lim, V. V. Atuchin, A. S. Aleksandrovsky [et al.] // Kor. J. Mater. Res. - 2020. - Vol. 30, Is. 1. - P. 50, DOI 10.3740/MRSK.2020.30.1.50. - Cited References: 1. - This study was supported by the Research Program through the Campus Research Foundation funded by Hanseo University in 2019 (191Yunghap09). . - ISSN 1225-0562. - ISSN 2287-7258

РУБ Materials Science, Multidisciplinary

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Hanseo Univ, Dept Aerosp Adv Mat & Chem Engn, Seosan 356706, South Korea.
RAS, Inst Semicond Phys, Lab Opt Mat & Struct, SB, Novosibirsk 630090, Russia.
Novosibirsk State Univ, Lab Semicond & Dielectr Mat, Novosibirsk 630090, Russia.
Kemerovo State Univ, Res & Dev Dept, Kemerovo 650000, Russia.
RAS, Kirensky Inst, Phys Fed Res Ctr, KSC,SB,Lab Coherent Opt, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Dept Photon & Laser Technol, Krasnoyarsk 660041, Russia.
Tyumen State Univ, Dept Inorgan & Phys Chem, Tyumen 625003, Russia.
Ind Univ Tyumen, Dept Gen & Special Chem, Tyumen 625000, Russia.
RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB,Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
RAS, Kirensky Inst Phys, Fed Res Ctr, KSC,SB,Lab Mol Spect, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Lim, Chang Sung; Atuchin, V. V.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Denisenko, Yuriy G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Campus Research Foundation - Hanseo University [191Yunghap09]
}
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Experimental and DFT study of BaLaCuS3: Direct band gap semiconductor / A. S. Oreshonkov, N. O. Azarapin, N. P. Shestakov, S. V. Adichtchev // J. Phys. Chem. Solids. - 2021. - Vol. 148. - Ст. 109670, DOI 10.1016/j.jpcs.2020.109670. - Cited References: 26. - The reported study was funded by RFBR , project numbers: 18-03-00750 , 18-05-00682 and 18-32-20011 . The authors would like to thank Alexey A. Lubin for his studies on SEM. The studies were carried out on the basis of a laboratory of electron and probe microscopy in REC ‘Nanotechnologies’. We are grateful to the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center « Krasnoyarsk Science Center SB RAS » for the provided Bruker Vertex 80v. The experimental part corresponding to Raman measurements was supported by the Ministry of Education and Science of the Russian Federation, grant no AAAA-A17-117052410033-9 . - ISSN 0022-3697
Кл.слова (ненормированные):
Sulphidation -- Semiconductor -- Direct band gap -- Wide band gap -- Solar cell
Аннотация: BaLaCuS3 powder was prepared by sulphidation method. The shape of powder particles is irregular and place in the range of 10–100 μm. The electronic, elastic and vibrational properties were evaluated with the use of DFT method. According to the electronic band structure calculation the BaLaCuS3 is a direct wide band gap semiconductor with Edg = 2.0 eV while the energy of indirect transition is equal to 2.2. eV and it indicates that the BaLaCuS3 is a promising material for efficient underwater solar cells. Calculated compressibility of BaLaCuS3 is found to be identical to germanium and zinc blende modification of zunc sulfide.

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk, 630090, Russian Federation

Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Azarapin, N. O.; Shestakov, N. P.; Шестаков, Николай Петрович; Adichtchev, S. V.
}
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Колебательная спектроскопия тригональных и моноклинных представителей семейства ReAl3(BO3)4 / А. С. Орешонков, Н. П. Шестаков, И. А. Гудим [и др.] // Енисейская фотоника-2020 : тезисы докладов. - Красноярск : ИФ СО РАН, 2020. - С. 130-131. - Cited References: 3. - Исследование поддержано РФФИ № 18-02-00399. . - ISBN 978-5-6042995-8-6

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Орешонков, Александр Сергеевич; Oreshonkov, A. S.; Шестаков, Николай Петрович; Shestakov, N. P.; Гудим, Ирина Анатольевна; Gudim, I. A.; Темеров, Владислав Леонидович; Temerov, V. L.; Молокеев, Максим Сергеевич; Molokeev, M. S.; Адищев, С. В.; Пугачев, А. М.; Федеральный исследовательский центр "Красноярский научный центр Сибирского отделения Российской академии наук"; Институт физики им. Л.В. Киренского Сибирского отделения РАН; Сибирский федеральный университет; "Енисейская фотоника", Всероссийская научная конференция с международным участием(1 ; 2020 ; сент. ; 14-19 ; Красноярск)
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10.

    Monoclinic SmAl3(BO3)4: synthesis, structural and spectroscopic properties / A. S. Oreshonkov, N. P. Shestakov, M. S. Molokeev [et al.] // Acta Crystallogr. B. - 2020. - Vol. 76. - P. 654-660, DOI 10.1107/S2052520620008781. - Cited References: 38. - Funding for this research was provided by: Russian Foundation for Basic Research (grant Nos. 18-03-00750, 18-05-00682 and 18-32-20011 to AO) . - ISSN 2052-5206
   Перевод заглавия: Моноклинный SmAl3(BO3)4: синтез, структура и спектроскопические свойства

РУБ Chemistry, Multidisciplinary + Crystallography
Рубрики:
Optical-properties
   Luminescence
   Spectra
   Crystals
   Sm
Кл.слова (ненормированные):
IR spectroscopy -- monoclinic structure -- luminescence -- Raman spectroscopy -- X-ray diffraction -- crystal structure
Аннотация: Single crystals of SmAl3(BO3)4 were synthesized by the group growth on seeds method. The crystal structure was solved using a single-crystal experiment and the purity of the bulk material was proved by the Rietveld method. This borate crystallizes in the monoclinic C2/c space group with unit-cell parameters a = 7.2386 (3), b = 9.3412 (5), c = 11.1013 (4) Å and β = 103.2240 (10)°. IR and Raman spectroscopic analyses confirmed the monoclinic structure of SmAl3(BO3)4. Under 532.1 nm excitation, luminescence spectra exhibit bands assignable to the transitions from 4G5/2 to 6H5/2, 6H7/2, 6H9/2 and 6H11/2. The similarity of the luminescence spectra of the trigonal and monoclinic polymorphs is explained by the minor role of Sm—O bond distortion and the primary role of rotational distortion of SmO6 octahedra. The smaller covalency of the Sm—O bond in alumoborates is deduced in comparison with galloborates. Calorimetric measurements did not reveal high-temperature structural phase transitions up to a temperature of 720 K.

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Держатели документа:
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Mol Spect, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Sch Engn & Construct, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk, Russia.
Siberian Fed Univ, Sch Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Coherent Opt, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Radiospect & Spintron, Krasnoyarsk 660036, Russia.
Russian Acad Sci, Inst Automat & Electrometry, Novosibirsk 630090, Russia.
Fed Res Ctr KSC SB RAS, Dept Mol Elect, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660074, Russia.
Tyumen State Univ, Dept Inorgan & Phys Chem, Tyumen 625003, Russia.
Ind Univ Tyumen, Dept Gen & Special Chem, Tyumen 625000, Russia.

Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Gudim, I. A.; Гудим, Ирина Анатольевна; Temerov, V. L.; Темеров, Владислав Леонидович; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Немцев, Иван Васильевич; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Denisenko, Y. G.; Russian Foundation for Basic ResearchRussian Foundation for Basic Research (RFBR) [18-03-00750, 18-05-00682, 18-32-20011]
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11.

    Negative thermal expansion in one-dimension of a new double sulfate AgHo(SO4)2 with isolated SO4 tetrahedra / Y. G. Denisenko, V. V. Atuchin, M. S. Molokeev [et al.] // J. Mater. Sci. Technol. - 2021. - Vol. 76. - P. 111-121, DOI 10.1016/j.jmst.2020.10.026. - Cited References: 55. - This work was financially supported by the Russian Foundation for Basic Research (Nos. 18-02-00754 and 18-32-20011 ), the National Scientific Foundations of China (No. 11974360 ) and the Russian Science Foundation (No. 19-42-02003 , in the part of conceptualization). M.S. Molokeev, A.S. Aleksandrovsky, A.S. Krylov, and A.S. Oreshonkov are grateful to Basic Project of the Ministry of Science of the Russian Federation in part of XRD, luminescent and Raman studies. IR-spectrometry was performed using resources of the Research Resource Center "Natural Resource Management and Physico-Chemical Research". Use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center «Krasnoyarsk Science Center SB RAS» is acknowledged . - ISSN 1005-0302
   Перевод заглавия: Отрицательное тепловое расширение в одном направлении двойного сульфата AgHo(SO4)2 с изолированными тетраэдрами SO4
Кл.слова (ненормированные):
Sulfate -- Crystal structure -- Thermal expansion -- Raman -- Photoluminescence -- Band structure
Аннотация: A double holmium-silver sulfate was obtained for the first time. The temperature intervals for the formation and stability of the compound were determined by differential scanning calorimetry. The crystal structure of AgHo(SO4)2 was determined by Rietveld method. The X-ray diffraction (XRD) analysis showed that the compound crystallizes in the monoclinic syngony, space group P21/m, with the unit cell parameters a = 4.71751 (4) Å, b = 6.84940 (6) Å and c = 9.89528 (9) Å, β = 95.1466 (4)°, V = 318.448 (5) Å3, Z = 2, RB = 1.55 %, T = 303 K. Two types of sulfate tetrahedra were found in the structure, which significantly affected the spectral properties in the infrared range. In the temperature range of 143−703 K, a negative thermal expansion along the b direction accompanied by a positive thermal expansion along the a and c directions was observed. It was established that negative thermal expansion is the result of the deformation of sulfate tetrahedra, which is affected by the movement of holmium and silver atoms. The excitation in the blue spectral range (457.9 nm) produces a luminescence in light blue (489 nm), green (545 nm) and red (654 nm) spectral ranges, and the latter two were of comparable intensity that is favorable for WLED sources. The observed luminescent band distribution is ascribed to the specific crystal field at Ho3+ ion sites rather than a variation of radiationless probability.

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Держатели документа:
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University of Giessen, Giessen, 35392, Germany
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
Laboratory of Coherent Optics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Giessen, 35392, Germany
University of the Chinese Academy of Sciences, Beijing, 100049, China
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, N.; Jiang, X.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Sedykh, A. E.; Volkova, S. S.; Lin, Z.; Andreev, O. V.; Muller-Buschbaum, K.
}
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12.

КР и ИК спектроскопия тригональных и моноклинных боратов ReAl3(BO3)4 / А. С. Орешонков, Н. П. Шестаков, М. С. Молокеев [и др.] // 7-й Урало-сибирский семинар "Спектроскопия комбинационного рассеяния света" : материалы семинара / прогр. ком. В. Ф. Шабанов, прогр. ком. А. Н. Втюрин, прогр. ком., ред. А. С. Крылов, орг. ком. С. Н. Крылова и др. - 2021. - секция 2: Комбинационное рассеяние в кристаллах. - С. 51-52. - Библиогр.: 8 . - ISBN 978-5-94332-125-2

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Шабанов, Василий Филиппович \прогр. ком.\; Shabanov, V. F.; Втюрин, Александр Николаевич \прогр. ком.\; Vtyurin, A. N.; Крылов, Александр Сергеевич \прогр. ком., ред.\; Krylov, A. S.; Крылова, Светлана Николаевна \орг. ком.\; Krylova, S. N.; Орешонков, Александр Сергеевич; Oreshonkov, A. S.; Шестаков, Николай Петрович; Shestakov, N. P.; Молокеев, Максим Сергеевич; Molokeev, M. S.; Рогинский, Евгений Михайлович; Roginsky E.M.; Адищев, С. В.; Пугачев, А. М.; Гудим, Ирина Анатольевна; Gudim, I. A.; Темеров, Владислав Леонидович; Temerov, V. L.; Чимитова, О. Д.; "Спектроскопия комбинационного рассеяния света", Урало-сибирский семинар(7 ; 2021 ; 23-25 авг. ; Екатеринбург); Урало-сибирский семинар по спектроскопии комбинационного рассеяния света(7 ; 2021 ; 23-25 авг. ; Екатеринбург); Научный совет по физике конденсированных сред РАН; Научный совет по спектроскопии атомов и молекул РАН; Российское минералогическое общество. Комиссия по рентгенографии, кристаллохимии и спектроскопии; Институт геологии и геохимии им. академика А. Н. Заварицкого УрО РАН; Федеральный исследовательский центр "Красноярский научный центр Сибирского отделения Российской академии наук"; Институт физики им. Л.В. Киренского Сибирского отделения РАН; Институт химии твердого тела УрО РАН; Уральский Федеральный университет им. Первого Президента России Б.Н. Ельцина
}
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13.

Evolution of structural, thermal, optical, and vibrational properties of Sc2S3, ScCuS2, and BaScCuS3 semiconductors / N. O. Azarapin, A. S. Oreshonkov, I. A. Razumkova [et al.] // Eur. J. Inorg. Chem. - 2021. - Vol. 2021, Is. 33. - P. 3355-3366, DOI 10.1002/ejic.202100292. - Cited References: 50. - The work was partially carried out using the resources of the Research Resource Center "Natural Resources Management and Physico-Chemical Research" (Tyumen University) with financial support from the Ministry of Science and Higher Education of the Russian Federation (contract No. 05.594.21.0019, UIN RFMEFI59420X0019). The Raman spectroscopic studies were carried out at the collaborative research center for vibrational spectroscopy at ISSC UB RAS (Ekaterinburg, Russia). I.I.L. would like to acknowledge the support from the Research Program No. AAAA-A19-119031890025-9 (ISSC UB RAS). The use of the equipment of Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center "Krasnoyarsk Science Center SB RAS" is acknowledged." The authors are grateful to Dr. Elena V. Vladimirova (ISSC UB RAS) for technical assistance . - ISSN 1434-1948. - ISSN 1099-0682

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
RARE-EARTH
QUATERNARY CHALCOGENIDES
CRYSTAL-STRUCTURES
Кл.слова (ненормированные):
Complex sulfides -- Density functional calculations -- DTA -- Polychalcogenides -- Rare earths
Аннотация: In the present work, we report on the synthesis of Sc2S3, ScCuS2 and BaScCuS3 powders using a method based on oxides sulfidation and modification of their properties. The crystal structures and morphology of samples are verified by XRD and SEM techniques. Thermal stability has been studied by DTA which has revealed that Sc2S3 decomposes to ScS through melting at 1877 K. ScCuS2 and BaScCuS3 melt incongruently at temperatures of 1618 K and 1535 K, respectively. The electronic structure calculations show that the investigated compounds are semiconductors with indirect band gap (Eg). According to the diffuse reflection spectroscopy, Sc2S3, ScCuS2 and BaScCuS3 are wide-bandgap semiconductors featured the Eg values of 2.53 eV, 2.05 eV and 2.06 eV, respectively. The band gap decreases with the introduction of copper (I) and barium cations into the crystal structure of the compounds. Variation of local structure has been verified by Raman and infrared spectroscopy. The calculated vibrational modes of ScCuS2 correspond to CuS4 and Sc−S layer vibrations, even though ScS6 octahedra-like structural units can be found in the structure.

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Tyumen State Univ, Dept Inorgan & Phys Chem, Tyumen 625003, Russia.
RAS, Fed Res Ctr KSC SB, Kirensky Inst Phys, Lab Mol Spect, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Sch Engn & Construct, Krasnoyarsk 660041, Russia.
RAS, Fed Res Ctr KSC SB, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Inst Nanotechnol Spect & Quantum Chem, Krasnoyarsk 660041, Russia.
RAS, Fed Res Ctr KSC SB, Inst Chem & Chem Technol, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Ural Branch, Inst Solid State Chem, Ekaterinburg 620990, Russia.

Доп.точки доступа:
Azarapin, N. O.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Razumkova, I. A.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Maximov, N. G.; Leonidov, I. I.; Shestakov, N. P.; Шестаков, Николай Петрович; Andreev, O. V.; Ministry of Science and Higher Education of the Russian Federation [05.594.21.0019, UIN RFME-FI59420X0019]; ISSC UB RAS [AAAA-A19-119031890025-9]
}
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14.

    Crystal structure, vibrational, spectroscopic and thermochemical properties of double sulfate crystalline hydrate [CsEu(H2O)3(SO4)2]·H2O and its thermal dehydration product CsEu(SO4)2 / Y. G. Denisenko, M. S. Molokeev, A. S. Oreshonkov [et al.] // Crystals. - 2021. - Vol. 11, Is. 9. - Ст. 1027, DOI 10.3390/cryst11091027. - Cited References: 103. - This work was partially supported by the Russian Foundation for Basic Research (grant 19-33-90258\19) . - ISSN 2073-4352
   Перевод заглавия: Кристаллическая структура, колебательные, спектроскопические и термохимические свойства двойного сульфатного кристаллического гидрата [CsEu(H2O)3(SO4)2]·H2O и продукта его термической дегидратации CsEu(SO4)2
Кл.слова (ненормированные):
sulfate -- dehydration -- crystal structure -- Raman -- thermal stability -- photoluminescence
Аннотация: Crystalline hydrate of double cesium europium sulfate [CsEu(H2O)3(SO4)2]·H2O was synthesized by the crystallization from an aqueous solution containing equimolar amounts of 1Cs+:1Eu3+:2SO42− ions. Anhydrous salt CsEu(SO4)2 was formed as a result of the thermal dehydration of the crystallohydrate. The unusual effects observed during the thermal dehydration were attributed to the specific coordination of water molecules in the [CsEu(H2O)3(SO4)2]·H2O structure. The crystal structure of [CsEu(H2O)3(SO4)2]·H2O was determined by a single crystal X-ray diffraction analysis, and the crystal structure of CsEu(SO4)2 was obtained by the Rietveld method. [CsEu(H2O)3(SO4)2]·H2O crystallizes in the monoclinic system, space group P21/c (a = 6.5574(1) Å, b = 19.0733(3) Å, c = 8.8364(2) Å, β = 93.931(1)°, V = 1102.58(3) Å3). The anhydrous sulfate CsEu(SO4)2 formed as a result of the thermal destruction crystallizes in the monoclinic system, space group C2/c (a = 14.327(1) Å, b = 5.3838(4) Å, c = 9.5104(6) Å, β = 101.979(3) °, V = 717.58(9) Å3). The vibration properties of the compounds are fully consistent with the structural models and are mainly determined by the deformation of non-rigid structural elements, such as H2O and SO42−. As shown by the diffused reflection spectra measurements and DFT calculations, the structural transformation from [CsEu(H2O)3(SO4)2]·H2O to CsEu(SO4)2 induced a significant band gap reduction. A noticeable difference of the luminescence spectra between cesium europium sulfate and cesium europium sulfate hydrate is detected and explained by the variation of the extent of local symmetry violation at the crystallographic sites occupied by Eu3+ ions, namely, by the increase in inversion asymmetry in [CsEu(H2O)3(SO4)2]·H2O and the increase in mirror asymmetry in CsEu(SO4)2. The chemical shift of the 5D0 energy level in cesium europium sulfate hydrate, with respect to cesium europium sulfate, is associated with the presence of H2O molecules in the vicinity of Eu3+ ion.

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Держатели документа:
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Laboratory of Crystal Physics, Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Molecular Spectroscopy, Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Coherent Optics, Federal Research Center KSC SB RAS, Kirensky Institute of Physics, Krasnoyarsk, 660036, Russian Federation
Department of Photonics and Laser Technology, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Chemistry of Compounds of Rare-Earth Elements, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Azarapin, N. O.; Andreev, O. V.; Razumkova, I. A.; Atuchin, V. V.
}
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15.

    Structural and spectroscopic effects of Li+ substitution for Na+ in LixNa1-xCaGd0.5Ho0.05Yb0.45(MoO4)3 scheelite-type upconversion phosphors / C.-S. Lim, A. S. Aleksandrovsky, M. S. Molokeev [et al.] // Molecules. - 2021. - Vol. 26, Is. 23. - Ст. 7357, DOI 10.3390/molecules26237357. - Cited References: 77. - This study was supported by the Research Program through the Campus Research Foundation funded by Hanseo University in 2021 (211Yunghap06) . - ISSN 1420-3049
   Перевод заглавия: Структурные и спектральные эффекты замещения Na+ ионами Li+ в LixNa1-xCaGd0.5Ho0.05Yb0.45(MoO4)3 шеелитоподобном апконверсионном люминофоре
Кл.слова (ненормированные):
optical materials -- chemical synthesis -- molybdate -- Raman spectroscopy -- X-ray diffraction; phosphors -- phosphors
Аннотация: A set of new triple molybdates, LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45, was successfully manufactured by the microwave-accompanied sol–gel-based process (MAS). Yellow molybdate phosphors LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45 with variation of the LixNa1-x (x = 0, 0.05, 0.1, 0.2, 0.3) ratio under constant doping amounts of Ho3+ = 0.05 and Yb3+ = 0.45 were obtained, and the effect of Li+ on their spectroscopic features was investigated. The crystal structures of LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45 (x = 0, 0.05, 0.1, 0.2, 0.3) at room temperature were determined in space group I41/a by Rietveld analysis. Pure NaCaGd0.5Ho0.05Yb0.45(MoO4)3 has a scheelite-type structure with cell parameters a = 5.2077 (2) and c = 11.3657 (5) Å, V = 308.24 (3) Å3, Z = 4. In Li-doped samples, big cation sites are occupied by a mixture of (Li,Na,Gd,Ho,Yb) ions, and this provides a linear cell volume decrease with increasing Li doping level. The evaluated upconversion (UC) behavior and Raman spectroscopic results of the phosphors are discussed in detail. Under excitation at 980 nm, the phosphors provide yellow color emission based on the 5S2/5F4 → 5I8 green emission and the 5F5 → 5I8 red emission. The incorporated Li+ ions gave rise to local symmetry distortion (LSD) around the cations in the substituted crystalline structure by the Ho3+ and Yb3+ ions, and they further affected the UC transition probabilities in triple molybdates LixNa1-xCaGd0.5(MoO4)3:Ho3+0.05/Yb3+0.45. The complex UC intensity dependence on the Li content is explained by the specificity of unit cell distortion in a disordered large ion system within the scheelite crystal structure. The Raman spectra of LixNa1-xCaGd0.5(MoO4)3 doped with Ho3+ and Yb3+ ions were totally superimposed with the luminescence signal of Ho3+ ions in the range of Mo–O stretching vibrations, and increasing the Li+ content resulted in a change in the Ho3+ multiplet intensity. The individual chromaticity points (ICP) for the LiNaCaGd(MoO4)3:Ho3+,Yb3+ phosphors correspond to the equal-energy point in the standard CIE (Commission Internationale de L’Eclairage) coordinates.

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Department of Aerospace Advanced Materials and Chemical Engineering, Hanseo University, Seosan 31962, Korea
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, 660041 Krasnoyarsk, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, 660041 Krasnoyarsk, Russia
Department of Physics, Far Eastern State Transport University, 680021 Khabarovsk, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, 660036 Krasnoyarsk, Russia
School of Engineering and Construction, Siberian Federal University, 660041 Krasnoyarsk, Russia
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, 630090 Novosibirsk, Russia
Research and Development Department, Kemerovo State University, 650000 Kemerovo, Russia
Department of Industrial Machinery Design, Novosibirsk State Technical University, 630073 Novosibirsk, Russia

Доп.точки доступа:
Lim, Chang-Sung; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Atuchin, V. V.
}
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16.

    Exploration of the structural, spectroscopic and thermal properties of double sulfate monohydrate NaSm(SO4)2·H2O and its thermal decomposition product NaSm(SO4)2 / Y. G. Denisenko, A. E. Sedykh, S. A. Basova [et al.] // Adv. Powder Technol. - 2021. - Vol. 32, Is. 11. - P. 3943-3953, DOI 10.1016/j.apt.2021.08.009. - Cited References: 81. - This work was partly supported by the Russian Science Foundation (21-19-00046) and Russian Foundation for Basic Research (Grant 19-33-90258\19). The use of the equipment of Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center “Krasnoyarsk Science Center SB RAS” is acknowledged . - ISSN 0921-8831
   Перевод заглавия: Исследование структурных, спектроскопических и термических свойств двойного сульфатного моногидрата NaSm(SO4)2·H2O и продукта его термического разложения NaSm(SO4)2
Кл.слова (ненормированные):
Sulfate -- Thermal decomposition -- Crystal structure -- Raman -- Photoluminescence
Аннотация: Samarium-sodium double sulfate crystalline hydrate NaSm(SO4)2·H2O was obtained by the crystallization from an aqueous solution containing equimolar amounts of ions. The anhydrous salt of NaSm(SO4)2 was formed by a thermally induced release of the equivalent of water from NaSm(SO4)2·H2O. The kinetic parameters of thermal decomposition were determined (Ea = 102 kJ/mol, A = 9·106). The crystal structures of both compounds were refined from the X-ray powder diffraction data. Sulfate hydrate NaSm(SO4)2·H2O crystallizes in the trigonal symmetry, space group P3121 (a = 6.91820(3) and c = 12.8100(1) Å, V = 530.963(7) Å3). The anhydrous salt crystallizes in the triclinic symmetry, space group P-1 (a = 6.8816(2), b = 6.2968(2) and c = 7.0607(2) Å, α = 96.035(1), β = 99.191(1) and γ = 90.986(1)°, V = 300.17(1) Å3). The vibrational properties of compounds are mainly determined by the sulfate group deformations. The luminescence spectra of both sulfates are similar and are governed by the transitions of samarium ions 4G5/2 → 6HJ (J = 5/2, 7/2, 9/2 and 11/2). The anhydrous sulfate is stable up to 1100 K and undergoes an almost isotropic expansion when heated. After 1100 K, the compound decomposes into Sm2(SO4)3 and Na2SO4.

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Держатели документа:
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University Giessen, Heinrich-Buff-Ring 17, Giessen, 35392, Germany
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Applied Physics, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far-Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Department of Photonics and Laser Technology, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Research Department, Northern Trans-Ural State Agricultural University, Tyumen, 625003, Russian Federation
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation
Center for Materials Research (LaMa), Justus-Liebig-University Giessen, Heinrich-Buff-Ring 16, Giessen, 35392, Germany

Доп.точки доступа:
Denisenko, Y. G.; Sedykh, A. E.; Basova, S. A.; Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Khritokhin, N. A.; Sal'nikova, E. I.; Andreev, O. V.; Muller-Buschbaum, K.
}
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17.

Microwave employed sol-gel synthesis of Ho3+/Yb3+/Tm3+ tri-doped NaGd(WO4)2 phosphors and their spectroscopic properties for biomedical applications / Chang Sung LimWon-Chun Oh, A. S. Aleksandrovsky [et al.] // The 14th Int. Conf. on Multi-functional Mater. and Applicat. - 2020. - P. 203-204

Материалы конференции

Доп.точки доступа:
Chang Sung Lim; Won-Chun Oh; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; International Conference on Multifunctional Materials and Application(14 ; 2020 ; Nov. 26-27 ; Korea)
}
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18.

    Crystal and electronic structure, thermochemical and photophysical properties of europium-silver sulfate monohydrate AgEu(SO4)2·H2O / Y. G. Denisenko, A. E. Sedykh, M. S. Molokeev [et al.] // J. Solid State Chem. - 2021. - Vol. 294. - Ст. 121898, DOI 10.1016/j.jssc.2020.121898. - Cited References: 54. - This work was partially supported by the Russian Foundation for Basic Research (Grant 19-33-90258∖19 ). Use of equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center « Krasnoyarsk Science Center SB RAS» is acknowledged . - ISSN 0022-4596
   Перевод заглавия: Кристаллическая и электронная структура, термохимические и фотофизические свойства моногидрата сульфата европия-серебра AgEu(SO4)2·H2O
Кл.слова (ненормированные):
Structure -- Thermochemistry -- Luminescence -- Sulfates -- Europium
Аннотация: In order to synthesize single crystals of europium-silver double sulfate monohydrate, a hydrothermal reaction route was used. It was found that the crystallization cannot be performed under standard conditions. The compound AgEu(SO4)2·H2O crystallizes in the trigonal crystal system, space group P3221 (a = 6.917(1), c = 12.996(2) Å, V = 538.53(17) Å3). The structure consists of triple-capped trigonal prisms [EuO9], in which one oxygen atom belongs to crystalline water, silver octahedra [AgO6], and sulfate tetrahedra [SO4]. The hydrogen bonds in the system additionally stabilize the structure. The electronic band structure wasstudied by density functional theory calculations which show that AgEu(SO4)2·H2O is an indirect band gap dielectric. Temperature dependent photoluminescence spectroscopy shows emission bands of transitions from the 5D0 state to the spin-orbit components of the 7FJmultiplet (J = 0–6).The ultranarrow transition 5D0 - 7F0 shows a red shift with respect to other europium-containing water-free sulfates that is ascribed to the presence of OH group in the crystal structure in the close vicinity of the Eu3+ ion. An effect of abnormal sensitivity of the Ω4 intensity factor to minor distortions of the local environment is detected for the observed low local symmetry of C2.

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Держатели документа:
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Institute of Inorganic and Analytical Chemistry, Justus-Liebig-University of Giessen, Giessen35392, Germany
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation
Center for Materials Research (LaMa), Justus-Liebig-University of Giessen, Giessen35392, Germany
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Komissarov Department of General Chemistry, Northen Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; Sedykh, A. E.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Krylov, A. S.; Крылов, Александр Сергеевич; Khritokhin, N. A.; Sal'nikova, E. I.; Andreev, O. V.; Muller-Buschbaum, K.
}
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19.

    Synthesis, structure, melting and optical properties of three complex orthorhombic sulfides BaDyCuS3, BaHoCuS3 and BaYbCuS3 / N. O. Azarapin, V. V. Atuchin, N. G. Maximov [et al.] // Mater. Res. Bull. - 2021. - Vol. 140. - Ст. 111314, DOI 10.1016/j.materresbull.2021.111314. - Cited References: 60. - This study was supported by the Russian Science Foundation (19-42-02003). The authors would like to thank Alexey A. Lubin for his studies on SEM. The studies were carried out on the basis of laboratory of electron and probe microscopy in REC ‘Nanotechnologies’. This work was partially supported by the DST-RSF project under the India-Russia Programme of Cooperation in Science and Technology (No. DST/ INT/RUS/RSF/P-20 dated May 16, 2019). Shaibal Mukherjee would like to thank MeitY for the YFRF under the Visvesvaraya Ph.D. Scheme for Electronics and IT. This publication is an outcome of the R&D work undertaken in the project under the Visvesvaraya Ph.D. Scheme of MeitY being implemented by Digital India Corporation (formerly Media Lab Asia). We are grateful to the Krasnoyarsk Regional Center of Research Equipment of the Federal Research Center «Krasnoyarsk Science Center SB RAS» for the provided equipment . - ISSN 0025-5408
   Перевод заглавия: Синтез, строение, плавление и оптические свойства трех сложных орторомбических сульфидов BaDyCuS3, BaHoCuS3 и BaYbCuS3
Кл.слова (ненормированные):
Complex sulfides -- Crystal structure -- SEM -- Raman -- Melting point
Аннотация: Complex sulfides BaDyCuS3, BaHoCuS3 and BaYbCuS3 were synthesized in a flow of sulfiding gases (CS2, H2S) at 900°C from standard solutions of lanthanide and copper nitrates, as well as from the same standard Ba(OH)2 solution. The crystal structures of BaDyCuS3, BaHoCuS3 and BaYbCuS3 were obtained by the Rietveld refinement method. All three compounds crystallize in the Cmcm space group (KZrCuS3 structural type) as predicted by the tolerance factor analysis. Their micromorphological, thermal and spectroscopic properties are evaluated. BaDyCuS3 and BaHoCuS3 melt congruently at 1376.5 °C and 1363.8 °C. BaYbCuS3 melts incongruently at 1353.3 °C. The optical band gap is 2.45 eV for BaDyCuS3, 2.37 eV for BaHoCuS3 and 1.82 eV for BaYbCuS3. The low bandgap of BaYbCuS3 is explained by the charge transfer band of Yb at the bottom of conduction band. The vibrational parameters of BaDyCuS3, BaHoCuS3 and BaYbCuS3 crystals were determined with the use of Raman and Infrared spectroscopies.

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Держатели документа:
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Institute of Chemistry and Chemical Technology, Federal Research Center KSC SB RAS, Krasnoyarsk, 660049, Russian Federation
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Nanotechnology, Spectroscopy and Quantum Chemistry, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Hybrid Nanodevice Research Group (HNRG), Electrical Engineering and Centre for Advanced Electronics (CAE), Indian Institute of Technology IndoreMadhya Pradesh 453552, India
Laboratory of the Chemistry of Rare Earth Compounds, Institute of Solid State Chemistry, UB RAS, Ekaterinburg, 620137, Russian Federation

Доп.точки доступа:
Azarapin, N. O.; Atuchin, V. V.; Maximov, N. G.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Shestakov, N. P.; Шестаков, Николай Петрович; Krylov, A. S.; Крылов, Александр Сергеевич; Burkhanova, T. M.; Mukherjee, S.; Andreev, O. V.
}
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20.

Oreshonkov, A. S.
Structural features of Y2O2SO4 via DFT calculations of electronic and vibrational properties / A. S. Oreshonkov, Y. G. Denisenko // Materials. - 2021. - Vol. 14, Is. 12. - Ст. 3246, DOI 10.3390/ma14123246. - Cited References: 44 . - ISSN 1996-1944
Кл.слова (ненормированные):
Yttrium oxysulfate -- DFT -- Lattice dynamics -- Infrared -- Raman -- Vibrations -- Y2O2SO4
Аннотация: The traditional way for determination of molecular groups structure in crystals is the X-Ray diffraction analysis and it is based on an estimation of the interatomic distances. Here, we report the analysis of structural units in Y2O2SO4 using density functional theory calculations of electronic properties, lattice dynamics and experimental vibrational spectroscopy. The Y2O2SO4 powder was successfully synthesized by decomposition of Y2(SO4)3 at high temperature. According to the electronic band structure calculations, yttrium oxysulfate is a dielectric material. The difference between the oxygen–sulfur and oxygen–yttrium bond nature in Y2O2OS4 was shown based on partial density of states calculations. Vibrational modes of sulfur ions and [Y2O22+] chains were obtained theoretically and corresponding spectral lines observed in experimental Infrared and Raman spectra.

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; Орешонков, Александр Сергеевич
}
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