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Fabrication of Microcrystalline NaPbLa(WO4)3:Yb3+/Ho3+ Phosphors and Their Upconversion Photoluminescent Characteristics / C. S. Lim, V. V. Atuchin, A. S. Aleksandrovsky [et al.] // Kor. J. Mater. Res. - 2019. - Vol. 29, Is. 12. - P. 741-746, DOI 10.3740/MRSK.2019.29.12.741. - Cited References: 28. - This study was supported by the Research Program through the Campus Research Foundation funded by Hanseo University in 2019 (191Yunghap09) and the Russian Science Foundation (19-42-02003). The authors are grateful for the support from RFBR, according to the research project 18-32-20011. . - ISSN 1225-0562. - ISSN 2287-7258
Кл.слова (ненормированные):
yellowish green phosphor -- triple tungstate -- microwave assisted sol-gel -- upconversion characteristics
Аннотация: New triple tungstate phosphors NaPbLa(WO4)3:Yb3+/Ho3+ (x = Yb3+/Ho3+ = 7, 8, 9, 10) are successfully fabricated by microwave assisted sol-gel synthesis and their structural and frequency upconversion (UC) characteristics are investigated. The compounds crystallized in the tetragonal space group I41/a and the NaPbLa(WO4)3 host have unit cell parameters a = 5.3927(1) and c = 11.7961(3) Å, V = 343.05(2) Å3, Z = 4. Under excitation at 980 nm, the phosphors have yellowish green emissions, which are derived from the intense 5S2/ 5F4 → 5I8 transitions of Ho3+ ions in the green spectral range and strong 5F5 → 5I8 transitions in the red spectral range. The optimal Yb3+:Ho3+ ratio is revealed to be x = 9, which is attributed to the quenching effect of Ho3+ ions, as indicated by the composition dependence. The UC characteristics are evaluated in detail under consideration of the pump power dependence and Commission Internationale de L'Eclairage chromaticity. The spectroscopic features of Raman spectra are discussed in terms of the superposition of Ho3+ luminescence and vibrational lines. The possibility of controlling the spectral distribution of UC luminescence by the chemical content of tungstate hosts is demonstrated.

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Держатели документа:
Department of Aerospace Advanced Materials & Chemical Engineering, Hanseo University, Seosan 356-706, Republic of Korea
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russia
Laboratory of Semiconductor and Dielectric Materials, Novosibirsk State University, Novosibirsk 630090, Russia
Research and Development Department, Kemerovo State University, Kemerovo 650000, Russia
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Department of Photonics and Laser Technologies, Siberian Federal University, Krasnoyarsk 660041, Russia
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen 625003, Russia
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen 625000, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Siberian Federal University, Krasnoyarsk 660041, Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk 680021, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, 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
}
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    Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln = Pr, Sm) / N. O. Azarapin [et al.] // J. Alloys Compd. - 2020. - Vol. 832. - Ст. 153134, DOI 10.1016/j.jallcom.2019.153134. - Cited References: 68. - This study was supported by the Russian Science Foundation (19-42-02003). Also, this study was supported by RFBR (18-32-20011, 18-03-00750, in part of Raman analysis). This work was partially supported by 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 the Ministry of Electronics and Information Technology (MeitY) for the Young Faculty Research Fellowship (YFRF) under 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). SEM investigations were carried out using the equipment of CKP “Nanostructures”, Novosibirsk, Russia. . - ISSN 0925-8388. - ISSN 1873-4669
   Перевод заглавия: Синтез, структурные и спектроскопические свойства ромбических кристаллов BaLnCuS3 (Ln = Pr, Sm)
Кл.слова (ненормированные):
Complex sulfides -- Crystal structure -- SEM -- Raman
Аннотация: Ternary sulfides BaPrCuS3 and BaSmCuS3 are first synthesized by the sulphidation reaction of a mixture of related oxides and metal Cu in a flow of (CS2, H2S) at 1170 K. The crystal structures of BaPrCuS3 and BaSmCuS3 are obtained by Rietveld method. BaPrCuS3 crystallizes in space group Pnma with unit cell parameters a = 10.56074(6), b = 4.11305(2) and c = 13.42845(7) Å, V = 583.289 (5) Å3, Z = 2 (structure type Eu2CuS3). BaSmCuS3 crystallizes in space group Cmcm with unit cell parameters a = 4.07269(4), b = 13.4499(1) and c = 10.3704(1) Å, V = 568.06 (1) Å3, Z = 2 (structure type KZrCuS3). The structural model is proposed for the Cmcm→Pnma transition in ABCX3 (X = S, Se) compounds for the sequence Sm-Pm-Nd-Pr. The dimensionless tolerance factor t = IR(A) × IR(C)/IR(B)2 is suggested to control the boundary between the Cmcm and Pnma structures. The micromorphological, thermal and spectroscopic properties are evaluated for BaPrCuS3. The compound melts incongruently at Tmelt = 1580.9 K. In BaPrCuS3, the band gap is estimated to be 2.1 eV. The vibrational parameters of BaPrCuS3 and BaSmCuS3 are comparatively observed by Raman spectroscopy.

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Держатели документа:
Institute of Chemistry, Tyumen State University, Tyumen, 625003, Russia
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Department of Photonics and Laser Technologies, Siberian Federal University, Krasnoyarsk, 660041, Russia
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russia
Functional Electronics Laboratory, Tomsk State University, Tomsk, 634050, Russia
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russia
Laboratory of Nanodiagnostics and Nanolithography, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russia
Siberian Federal University, Krasnoyarsk, 660079, Russia
Hybrid Nanodevice Research Group (HNRG), Electrical Engineering, Indian Institute of Technology Indore, Madhya Pradesh, 453552, India

Доп.точки доступа:
Azarapin, N. O.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Atuchin, V. V.; Gavrilova, T. A.; Krylov, A. S.; Крылов, Александр Сергеевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Mukherjee, S.; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Andreev, O. V.; Андреев О. В.
}
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    Structural, electronic and vibrational properties of YAl3(BO3)4 / A. S. Oreshonkov, E. M. Roginskii, N. P. Shestakov [et al.] // Materials. - 2020. - Vol. 13, Is. 3. - Ст. 545, DOI 10.3390/ma13030545. - Cited References: 72. - This research was funded by Russian Foundation for Basic Research (18-03-00750, 18-05-00682 and 18-32-20011). - The computations were performed using the facilities of the Computational Center of the Research Park of St. Petersburg State University. We are grateful to the Center of collective use of FRC KSC SB RAS for the provided equipment namely Bruker Vertex 70V, Emitech K575XD, Hitachi TM3000 and Bruker Smart ApexII. Some parts of the experiments were performed in the multiple-access center “High-Resolution Spectroscopy of Gases and Condensed Matter” in IA&E SBRAS (Novosibirsk, Russia). 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. The authors thank A.M. Sysoev and V.M. Sventitsky for assistance with sample orientation . - ISSN 1996-1944
   Перевод заглавия: Структурные, электронные и колебательные свойства YAl3(BO3)4
Кл.слова (ненормированные):
YAl3(BO3)4 -- huntite-like structure -- rare-earth alumoborates -- infrared spectra -- monoclinic domains
Аннотация: The crystal structure of YAl3(BO3)4 is obtained by Rietveld refinement analysis in the present study. The dynamical properties are studied both theoretically and experimentally. The experimental Raman and Infrared spectra are interpreted using the results of ab initio calculations within density functional theory. The phonon band gap in the Infrared spectrum is observed in both trigonal and hypothetical monoclinic structures of YAl3(BO3)4. The electronic band structure is studied theoretically, and the value of the band gap is obtained. It was found that the YAl3(BO3)4 is an indirect band gap dielectric material.

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Krasnoyarsk 660041, Russia
Laboratory of Spectroscopy of Solid State, Ioffe Institute, St. Petersburg 194021, Russia
Laboratory of Radiospectroscopy and Spintronics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
School of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk 660041, Russia
Institute of Automation and Electrometry, Russian Academy of Sciences, Novosibirsk 630090, Russia
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen 625003, Russia
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen 625000, Russia

Доп.точки доступа:
Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Roginskii, E. M.; Shestakov, N. P.; Шестаков, Николай Петрович; Gudim, I. A.; Гудим, Ирина Анатольевна; Temerov, V. L.; Темеров, Владислав Леонидович; Nemtsev, I. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Adichtchev, S. V.; Pugachev, A. M.; Denisenko, Yu. G.
}
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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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Держатели документа:
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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    Microwave sol-gel synthesis, microstructural and spectroscopic properties of scheelite-type ternary molybdate upconversion phosphor NaPbLa(MoO4)3:Er3+/Yb3+ / C. S. Lim [et al.] // J. Alloys Compd. - 2020. - Vol. 826. - Ст. 152095, DOI 10.1016/j.jallcom.2019.152095. - Cited References: 53. - This research was supported by the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT and Future Planning (2018R1D1A1A09082321). This study was supported by the Russian Science Foundation (19-42-02003, in part of conceptualization). Also, this study was supported by RFBR (18-32-20011, 18-03-00750). . - ISSN 0925-8388. - ISSN 1873-4669
   Перевод заглавия: Микроволновый золь-гель синтез, микроструктурные и спектроскопические свойства апконверсионного люминофора тройного молибдата NaPbLa(MoO4)3:Er3+/Yb3+ со структурой шеелита
Кл.слова (ненормированные):
Optical materials -- Chemical synthesis -- Molybdate -- Raman spectroscopy -- X-ray diffraction -- Phosphors
Аннотация: New ternary molybdate NaPbLa(1-x-y)(MoO4)3:xEr3+,yYb3+ (x = y = 0, x = 0.05 and y = 0.35, 0.4, 0.45 and 0.5) phosphors were successfully fabricated by the MSG (microwave sol-gel) method, and the microstructural and spectroscopic properties were characterized. The crystal structure of NaPbLa(MoO4)3 (NPLM) was defined by Rietveld analysis in space group I41/a with unit cell parameters a = 5.3735(2) and c = 11.8668(4) Å, V = 342.65(3) Å3, Z = 4 (RB = 6.64%). The unit cell volume of NaPbLa(MoO4)3 (NPLM) was intermediate between those of NaLa(MoO4)2 and PbMoO4. Under the 980 nm excitation, upconverted yellowish-green emissions at transitions from 2H11/2 and 4S3/2 were observed. No concentration quenching in the subsystem of donor ions at the content up to 50 at.% and no cross-relaxation losses in the subsystem of acceptor ions at the concentrations as high as 5 at. % were verified. The individual chromaticity points for the NaPbLa(MoO4)3:Er3+,Yb3+ phosphors, corresponding to the equal-energy point in the standard CIE diagram, revealed yellowish-green emissions.

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Держатели документа:
Department of Aerospace Advanced Materials & Chemical Engineering, Hanseo University, Seosan, 356-706, Republic of Korea
Laboratory of Coherent Optics, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Department of Photonics and Laser Technologies, Siberian Federal University, Krasnoyarsk, 660041, Russia
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russia
Functional Electronics Laboratory, Tomsk State University, Tomsk, 634050, Russia
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russia
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Siberian Federal University, Krasnoyarsk, 660041, Russia
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia

Доп.точки доступа:
Lim, Chang Sung; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич
}
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    High-temperature oxidation of europium (II) sulfide / Y. G. Denisenko [et al.] // J. Ind. Eng. Chem. - 2019. - Vol. 79. - P. 62-70, DOI 10.1016/j.jiec.2019.05.006. - Cited References: 68. - The authors are grateful for the support from RFBR ( 18-02-00754 , 18-08-00985 , and 18-32-20011 ). This study was also supported by the Russian Science Foundation (project 19-42-02003 , in part of conceptualization). . - ISSN 1226-086X
   Перевод заглавия: Высокотемпературное окисление сульфида европия (II)
Кл.слова (ненормированные):
Sulfur-containing europium compounds -- High-temperature oxidation -- Thermal analysis -- X-ray diffraction -- Crystal structure -- Photoluminescence
Аннотация: The process of high-temperature oxidation of EuS in the air was explored in the temperature range of 500–1000 °C. The oxidation reaction enthalpy was determined (ΔH0exp = −1718.5 kJ/mol). The study of oxidation products allowed to establish the mechanism of EuS oxidation with oxygen. At 500–600 °C, EuS is oxidized to a mixture of Eu3+-containing compounds (Eu3S4, Eu2O2S). In the range of 700–1000 °C, only europium oxysulfate Eu2O2SO4 is formed. The structure refinement for Eu2O2SO4 was performed by the Rietveld method. The luminescence intensity of europium oxysulfate Eu2O2SO4 with characteristic 4f-4f transitions from the 5D0 state was investigated as a function of oxidation temperature.

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Держатели документа:
Department of Inorganic and Physical Chemistry, Tyumen State University, Tyumen, 625003, Russian Federation
Department of General and Special Chemistry, Industrial University of Tyumen, Tyumen, 625000, 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
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
Functional Electronics Laboratory, Tomsk State University, Tomsk, 634050, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Laboratory of Chemistry of Rare Platinum Metals, Nikolaev Institute of Inorganic Chemistry SB RAS, Novosibirsk, 630090, Russian Federation
Department of General Chemistry, Northern Trans-Ural Agricultural University, Tyumen, 625003, Russian Federation

Доп.точки доступа:
Denisenko, Y. G.; 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.; Azarapin, N. O.; Plyusnin, P. E.; Sal'nikova, E. I.; Andreev, O. V.
}
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    Oreshonkov, A. S.
    New candidate to reach Shockley–Queisser limit: The DFT study of orthorhombic silicon allotrope Si(oP32) / A. S. Oreshonkov, E. M. Roginskii, V. V. Atuchin // J. Phys. Chem. Solids. - 2020. - Vol. 137. - Ст. 109219, DOI 10.1016/j.jpcs.2019.109219. - Cited References: 44. - The authors are grateful for the support from RFBR , according to the research projects 18-03-00750 and 18-32-20011 . The computations were performed using the facilities of the Computational Center of the Research Park of St. Petersburg State University. This study was also supported by the Russian Science Foundation (project 19-42-02003 , in part of conceptualization). . - ISSN 0022-3697
   Перевод заглавия: Новый кандидат для достижения предела Шокли-Квайссера: ДФТ исследование орторомбического аллотропа кремния Si(oP32)
Кл.слова (ненормированные):
Silicon -- Allotrope -- Shockley–Queisser limit -- DFT -- Phonon
Аннотация: In the present study, the unit cell parameters and atomic coordinates are predicted for the Pbcm orthorhombic structure of Si(oP32) modification. This new allotrope of silicon is mechanically stable and stable with respect to the phonon states. The electronic structure of Si(oP32) is calculated for LDA and HSE06 optimized structures. The band gap value Eg = 1.361 eV predicted for Si(oP32) is extremely close to the Shockley–Queisser limit and it indicates that the Si(oP32) modification is a promising material for efficient solar cells. The frequencies of Raman and Infrared active vibrations is calculated for allotrope Si(oP32).

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Держатели документа:
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Laboratory of Spectroscopy of Solid State, Ioffe Institute, St. Petersburg, 194021, Russian Federation
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Functional Electronics Laboratory, Tomsk State University, Tomsk, 634050, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovom, 650000, Russian Federation

Доп.точки доступа:
Roginskii, E. M.; Atuchin, V. V.; Орешонков, Александр Сергеевич
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Structural phase transitions in elpasolite-like fluorides comprising rare earth elements – Raman scattering study / A. N. Vtyurin [et al.] // 3th Int. Conf. "Scanning Probe Microscopy". 4th Russia-China Workshop on Dielectric and Ferroel. Mater. (SPM-2019-RCWDFM). Int. Youth Conf. "Functional Imaging of Nanomaterials" : Abstract book of joint int. conf. - 2019. - P. 29 . - ISBN 978-5-9500624-2-1

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Держатели документа:
Kirensky Institute of Physics, FRC KSC SB RAS, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Vtyurin, A. N.; Втюрин, Александр Николаевич; Krylov, A. S.; Крылов, Александр Сергеевич; Voronov, V. N.; Воронов, Владимир Николаевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Уральский федеральный университет им. первого Президента России Б.Н. Ельцина; Scanning Probe Microscopy, International Conference(3 ; 2019 ; Aug. ; 25-28 ; Ekaterinburg); Russia-China Workshop on Dielectric and Ferroelectric Materials(4 ; 2019 ; Aug. ; 25-28 ; Ekaterinburg); "Functional Imaging of Nanomaterials", International Youth Conference(2019 ; Aug. ; 25-28 ; Ekaterinburg)
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10.

Synthesis, crystall structure, thermochemical and luminescent-spectral properties of europium sulphates / Yu. G. Denisenko [et al.] // XXI Mendeleev Congress on General and Applied Chemistry : Book of abstracts : in 6 vols. - 2019. - Vol. 2b. - P. 90. - Cited References: 2

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Держатели документа:
Idustrial University of Tyumen
Institute of Semiconductor Physics, SB RAS
L.V. Kirensky Institute of Physics, SB RAS
Tyumen State Uneversity

Доп.точки доступа:
Denisenko, Yu. G.; Atuchin, V. V.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Andreev, O. V.; Mendeleev Congress on General and Applied Chemistry(21 ; 2019 ; Sept. ; 9-13 ; Petersburg, Russia); Менделеевский съезд по общей и прикладной химии(21 ; 2019 ; сент. ; 9-13 ; Санкт-Петербург); Российская академия наук; Российское химическое общество им. Д.И. Менделеева; Российский фонд фундаментальных исследований; Санкт-Петербургский государственный университет; Санкт-Петербургский горный университет; Российский союз химиков; Институт физической химии и электрохимии имени А.Н. Фрумкина РАН
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