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    2-Thiobarbiturate complexes of Ca(II): synthesis, crystal structure and thermal properties / N. N. Golovnev [et al.] // 3 Int. Conf. on the Advancement of Mater. and Nanotechn. (ICAMN 2013) : Programme and abstracts book. - 2013. - P. 157
   Перевод заглавия: 2-тиобарбитуровые комплексы Ca(II): синтез, кристаллическая структура и термические свойства
Кл.слова (ненормированные):
calcium -- 2-thiobarbituric acid -- crystal structure -- thermal decomposition -- IR spectroscopy

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereschagin, S. N.; Верещагин, С. Н.; Atuchin, V. V.; Атучин, Виктор Валерьевич; International Conference on the Advancement of Materials and Nanotechnology (3 ; 2013 ; Nov. ; 19-22 ; Penang, Malaysia)
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Головнёв, Николай Николаевич.
2-тиобарбитуровая кислота и ее комплексы с металлами: синтез, структура и свойства / Н. Н. Головнёв, М. С. Молокеев ; Сиб. федер. ун-т, Рос. акад. наук, Сиб. отд-ние, Ин-т физики им. Л.В. Киренского. - Красноярск : СФУ, 2014. - 252 с. ; 251 с. - Библиогр.: 163 назв. - 500 экз. - 500 экз. - ISBN 978-5-7638-3080-4 : Б. ц.
Аннотация: Рассмотрены и сопоставлены данные по таутомерии, кислотно-основному равновесию в водном растворе, синтезу и структуре полиморфных кристаллических модификаций, спектроскопическим характеристикам 2-тиобарбитуровой кислоты. Дан обзор современного состояния в области синтеза и исследования строения 2-тиобарбитуратных комплексов s-, p- и d-металлов.

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Держатели документа:
Библиотека Института физики им. Л. В. Киренского СО РАН

Доп.точки доступа:
Молокеев, Максим Сергеевич; Molokeev, M. S.; Golovnev N.N.; Сибирский федеральный университет; Российская академия наук; Сибирское отделение РАНИнститут физики им. Л.В. Киренского Сибирского отделения РАН
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    A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+: Synthesis, crystal structure and luminescence properties / H. Liu [et al.] // RSC Adv. - 2016. - Vol. 6, Is. 29. - P. 24577-24583, DOI 10.1039/c5ra23348h. - Cited References: 33. - We gratefully acknowledge the financial support by the National Natural Science Foundations of China (Grant no. 41172053), the Fundamental Research Funds for the Central Universities (Grant no. 2652013043), and Science and Technology Innovation Fund of the China University of Geosciences (Beijing). . - ISSN 2046-2069
   Перевод заглавия: Новый однофазный люминофор Ca9La(PO4)5(SiO4)F2:Dy3+, излучающий белый свет: синтез, кристаллическая структура и люминесцентные свойства

РУБ Chemistry, Multidisciplinary
Рубрики:
Energy-transfer
   Diodes
   LEDs
   Emission
   Ions
   Excitation
   Ce3+
   Eu2+
   Ln
Аннотация: A novel single-phase white light emitting phosphor Ca9La(PO4)5(SiO4)F2:Dy3+ was prepared through traditional high-temperature solid state technology. The crystal structures of Ca9La(PO4)5(SiO4)F2 with or without Dy3+ ions were refined by the Rietveld method. The diffuse reflection spectra, excitation spectra, emission spectra, and decay times were characterized to investigate the photoluminescence properties for application in white light-emitting diodes. The results showed that the Ca9La(PO4)5(SiO4)F2:Dy3+ phosphor could efficiently assimilate n-UV light and emit blue (∼485 nm) and yellow light (∼580 nm), originating from the f-f transitions of Dy3+. The critical Dy3+ quenching concentration (QC) was determined to be about 15 mol%, and the corresponding QC mechanism was verified to be the dipole-dipole interaction. Additionally, the emission colors of all samples were located close to the ideal white light region, and the optimal chromaticity coordinates and correlated color temperature (CCT) were determined to be (x = 0.338, y = 0.336) and 5262 K. All the above results indicate that the as-prepared Ca9La(PO4)5(SiO4)F2:Dy3+ phosphor could serve as a promising candidate for white-light n-UV-LEDs. © The Royal Society of Chemistry 2016.

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Держатели документа:
Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid Wastes, National Laboratory of Mineral Materials, School of Materials Science and Technology, China University of Geosciences, Beijing, China
Laboratory of Crystal Physics, Institute of Physics, SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Liu, H.; Liao, L.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Guo, Q.; Zhang, Y.; Mei, L.
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    Anisotropic thermal expansion and electronic structure of LiInSe2 / V. V. Atuchin, L. I. Isaenko, S. I. Lobanov [et al.] // Molecules. - 2022. - Vol. 27, Is. 16. - Ст. 5078, DOI 10.3390/molecules27165078. - Cited References: 65. - This work was partly supported by the Ministry of Education and Science of the Russian Federation (grant FSUS-2020-0036), state assignment of IGM SB RAS (preliminary crystal charge composition analysis), Russian Science Foundation (grants #19-12-00085-P, crystal growth, and 21-19-00046, conceptualization), National Scientific Foundations of China (Grants 51702330, 11974360 and 51872297), the Young Elite Scientist Sponsorship Program by CAST (YESS), and the CAS Project for Young Scientists in Basic Research (Grants YSBR-024) and the Government of the Russian Federation (075-15-2022-1132). The XPS measurements were carried out at the Surface Analysis Laboratory of the University of New South Wales, Sydney, Australia . - ISSN 1420-3049
   Перевод заглавия: Тепловое расширение и электронная структура LiInSe2
Кл.слова (ненормированные):
LiInSe2 -- crystal growth -- thermal expansion -- band structure -- XPS -- DFT
Аннотация: Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman–Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5–6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303–703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK−1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.

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Держатели документа:
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation
Department of Applied Physics, Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk, 630073, Russian Federation
R&D Center "Advanced Electronic Technologies", Tomsk State University, Tomsk, 634034, Russian Federation
Laboratory of Crystal Growth, Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation
Laboratory of Functional Materials, 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
Institute of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Department of Physics, Far Eastern State Transport UniversityKhabarovsk 680021, Russian Federation
Australian Science and Technology Organisation (ANSTO), Lucas Heights, Australia
Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of SciencesBeijing 100190, China
University of the Chinese Academy of SciencesBeijing 100049, China

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Lobanov, S. I.; Goloshumova, A. A.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, Z.; Zhang, X.; Jiang, X.; Lin, Z.
}
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    Korshunov, M. M.
    Band structure modification due to the spin-orbit coupling in the three-orbital model for iron pnictides / M. M. Korshunov, Y. N. Togushova // J. Sib. Fed. Univ. Math. Phys. - 2018. - Vol. 11, Is. 4. - P. 430-437 ; Журн. СФУ. Сер. "Математика и физика", DOI 10.17516/1997-1397-2018-11-4-430-437. - Cited References: 14. - This work was supported in part by the Russian Foundation for Basic Research (grant 16-02-00098) and BASIS Foundation for Development of Theoretical Physics and Mathematics. . - ISSN 1997-1397. - ISSN 2313-6022
   Перевод заглавия: Изменение зонной структуры из-за спин-орбитального взаимодействия в трехорбитальной модели пниктидов железа

РУБ Physics
Рубрики:
SUPERCONDUCTING STATE
Кл.слова (ненормированные):
Fe-based superconductors -- spin-orbit coupling -- band structure -- Fermi surface -- сверхпроводники на основе железа -- спин-орбитальное взаимодействие -- зонная структура -- поверхность Ферми
Аннотация: We study the effect of the spin-orbit coupling on the band structure and the Fermi surface of the three-orbital model within the two-iron Brillouin zone. Due to the presence of two irons in the crystallographically correct unit cell, the spin-orbit coupling can be divided into the intra- and intercell parts with respect to the one-iron unit cell. We show that the intercell part produces the reconstruction of the Fermi surface in the form of the pronounced splitting between the previously degenerate electron (π, π)-pockets along the (0, π) - (π, π) direction. Intracell part shifts the bands around (0, 0) point and removes degeneracy there. There are also some other band shifts but they should not affect the low-energy physics because they occur at energy scales of about 1 eV below the Fermi level.
Исследовано влияние спин-орбитального взаимодействия на зонную сруктуру и поверхность Ферми трехорбитальной модели в зоне Бриллюэна двух атомов железа на ячейку. Из-за присутствия двух атомов железа в кристаллографической элементарной ячейке спин-орбитальное взаимодействие можно разделить на внутри- и межъячеечную части по отношению к элементарной ячейке решетки железа. Показано, что межъячеечная часть приводит к реконструкции поверхности Ферми в виде выраженного расщепления между ранее вырожденными электронными карманами в точке (π ;π ) вдоль направления (0; π) − (π; π). Внутриячеечная часть приводит к сдвигу зон вблизи точки (0; 0) и снимает там вырождение. Также имеют место другие сдвиги зон, но они не должны влиять на низкоэнергетическую физику, поскольку возникают на энергиях порядка 1 eV ниже уровня Ферми.

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Держатели документа:
Siberian Fed Univ, Svobodny 79, Krasnoyarsk 660041, Russia.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Togushova, Yu.N.; Тогушова, Ю. Н.; Коршунов, Максим Михайлович; Russian Foundation for Basic Research [16-02-00098]; BASIS Foundation for Development of Theoretical Physics and Mathematics

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    Bis(μ3-barbiturato−O,O,O′)-(μ2-aqua)- aqua-barium(II): crystal structure, spectroscopic and thermal properties / L. A. Solovyov [et al.] // J. Coord. Chem. - 2017. - Vol. 70, Is. 12. - P. 1984-1993, DOI 10.1080/00958972.2017.1319943. - Cited References: 21 . - ISSN 0095-8972
   Перевод заглавия: Бис(μ3-барбитурат-O,O,O')-(μ2-аква)-аква-бария(II): Кристаллическая структура, спектроскопические и термические свойства
Кл.слова (ненормированные):
Barbituric acid -- barium -- coordination compound -- X-ray diffraction -- infrared spectroscopy -- thermal analysis
Аннотация: A polymeric coordination compound, [Ba(H2O) 2(Hba)2] (1) (H2ba – barbituric acid, C4H4N2O3), was obtained. The structure of 1 was solved using powder X-ray diffraction methods. The Ba2+ ion in 1 formed a three-capped trigonal prism. The BaO9 polyhedra, connected with each other by the edges and faces, formed a chain. Several 4- and 12-membered cycles due to the bridging μ2-H2O and bridging μ3-Hba– also formed implementing a 3-D polymer structure. The structures of 1 and other thiobarbiturate complexes were compared. The replacement of a S atom by an O atom in the heterocyclic ligand Htba− (thiobarbiturate ion) of the compound Ba(H2O)2(Htba)2 resulted in changes of the coordination number Ba(II) and supramolecular structure. The intermolecular hydrogen bonds O–H⋯O and N–H⋯O formed a 3-D net where pronounced 2-D layers of Hba– ions could be found. A new topological net in 1 was observed. The IR and thermal stability were investigated.

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Держатели документа:
Institute of Chemistry and Chemical Technology, SB RAS, FRC “Krasnoyarsk Science Center SB RAS”, Krasnoyarsk, Russian Federation
Department of Chemistry, Siberian Federal University, Krasnoyarsk, Russian Federation
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Solovyov, L. A.; Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.
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    Ca/Sr ratio dependent structure and up-conversion luminescence of (Ca1-xSrx)In2O4 : Yb3+/Ho3+ phosphors / M. Guan [et al.] // RSC Adv. - 2015. - Vol. 5, Is. 73. - P. 59403-59407, DOI 10.1039/c5ra08467a. - Cited References:25. - This present work was supported by the National Natural Science Foundations of China (Grant no. 51202226), the Fundamental Research Funds for the Central Universities (Grant no. 2652014125, 2652013128, 2652013043), and the Research Fund for the Doctoral Program of Higher Education of China (Grant no. 20130022110006). . - ISSN 2046-2069
   Перевод заглавия: Структура зависящая от Ca/Sr соотношения и люминесценция с апконверсией в люминофоре (Ca1-xSrx)In2O4: Yb3+/Ho3+

РУБ Chemistry, Multidisciplinary
Рубрики:
CO-DOPED CAIN2O4
   ENERGY-TRANSFER
   PHOTOLUMINESCENCE
   EMISSION
   SRIN2O4
Аннотация: Up-conversion (UC) phosphors of (Ca1-xSrx)In2O4 : Yb3+/Ho3+ (x = 0, 0.1, 0.3, 0.5, 0.7, 0.9, 1.0) were prepared. Based on the crystal structure evolution of these series solid solution samples, which were characterized by Rietveld refinement, the variation of UC luminescent properties was discussed in detail. Sr and Ca occupied one position and Yb/Ho dissolved in the In ion site in the (Ca1-xSrx)In2O4 lattice. With increasing Sr substituting Ca atoms, the cell parameters and cell volumes of these samples increased linearly, and distortions of (Ca/Sr)O-8 polyhedron were formed. The distortions on crystal structures showed a negative relation with UC luminescent intensities in these series phosphors.

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Держатели документа:
China Univ Geosci, Natl Lab Mineral Mat, Beijing Key Lab Mat Utilizat Nonmetall Minerals &, Sch Mat Sci & Technol, Beijing 100083, Peoples R China.
SB RAS, LV Kirensky Phys Inst, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.
Univ Auckland, Dept Chem & Mat Engn, Auckland 1142, New Zealand.

Доп.точки доступа:
Guan, Ming; Zheng, Hong; Huang, Zhaohui; Ma, Bin; Molokeev, M. S.; Молокеев, Максим Сергеевич; Huang, Saifang; Mei, Lefu
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    Ivanov, D. A.
    Changes of the Fermi surface topology in the three-orbital model for iron pnictides with the spin-orbit coupling / D. A. Ivanov, Y. N. Togushova, M. M. Korshunov // J. Sib. Fed. Univ. Math. Phys. - 2023. - Vol. 16, Is. 6. - P. 795-803 ; Журн. СФУ. Матем. и физ. - Cited References: 28 . - ISSN 1997-1397. - ISSN 2313-6022
   Перевод заглавия: Изменение топологии поверхности Ферми в трехорбитальной модели пниктидов железа со спин-орбитальным взаимодействием
Кл.слова (ненормированные):
Fe-based superconductors -- spin-orbit coupling -- band structure -- Fermi surface -- сверхпроводники на основе железа -- спин-орбитальное взаимодействие -- зонная структура -- поверхность Ферми
Аннотация: Effect of the spin-orbit coupling on the band structure and the Fermi surface of the three-orbital model is studied. The inter-orbital part of the model is reformulated to fully conform with the iron lattice symmetry. Because there are two iron ions in the unit cell, we introduce the intra-and inter-ion spin-orbit coupling constants to separate the effect of the related couplings on the band structure and the Fermi surface. Both the intra-and inter-ion parts lift the degeneracy of some bands at the Γ = (0, 0) point and the splitting of bands along the (0, π) ‒ (π, π) direction of the Brillouin zone. We show that the inter-ion part of the spin-orbit coupling leads to the topological change of the Fermi surface — the splitting of two Fermi surface sheets around the M = (π, π) point.
Изучено влияние спин-орбитального взаимодействия на зонную структуру и поверхность Ферми в трехорбитальной модели. Межорбитальная часть модели изменена для полного соответствия с симметрией решетки железа. Из-за наличия двух ионов железа в элементарной ячейке мы вводим внутри- и межионную константы спин-орбитального взаимодействия для разделения эффектов соответствующих взаимодействий на зонную структуру и поверхность Ферми. И внутри, и межионная части снимают вырождение некоторых зон в точке Γ = (0, 0) и вырождение вдоль направления (0, π) − (π, π) зоны Бриллюэна. Показано, что межионная часть спин-орбитального взаимодействия приводит к изменению топологии поверхности Ферми, а именно к разделению листов поверхности Ферми вблизи точки M = (π, π).

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Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Togushova, Y. N.; Korshunov, M. M.; Коршунов, Максим Михайлович

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    Vasiliev, A. D.
    Ciprofloxacinium malonate dihydrate: preparation, crystal structure, thermal stability / A. D. Vasiliev, N. N. Golovnev // J. Sib. Fed. Univ. Chem. - 2013. - Vol. 6, Is. 2. - P. 107-113 ; Журн. СФУ. Сер. "Химия"
   Перевод заглавия: Малонат дигидрат ципрофлоксацина: приготовление, кристаллическая структура, тепловая стабильность
Аннотация: Ciprofloxacinium malonate dihydrate (I) , C 17 H 19 FN 3 O 3 ∙C 3 H 3 O 4 ∙H 2 O, (C 17 H 18 FN 3 O 3 – ciprofloxacin, CfH; C 3 H 4 O 4 − malonic acid) has been crystallized from the mutual solution of malonic acid and ciprofloxacin in ambient conditions. It has improved aqueous solubility against the ciprofloxacin. The colourless crystals have been investigated using X-ray single crystal and powder techniques, and characterized by differential scanning calorimetry and thermogravimetry. The obtained compound can be considered as a salt with ciprofloxacinium in the role of a cation and malonate as an anion. The compound is crystallized in the triclinic lattice with a = 7.283(2), b = 10.090(3), c = 15.104(5)Å, α = 102.711(4), β = 103.328(4), γ = 94.261(4)°, Z = 2, V = 1044.5(6)Å , S.G. P 1 . The crystal structure determination reveals the importance of inter-and intramolecular interactions in the crystal formation. Thermal behavior and solubility of I provided complementary evidences of salt formation.

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Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич

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10.

    Co-substitution in Ca1−xYxAl12−xMgxO19 phosphors: local structure evolution, photoluminescence tuning and application for plant growth LEDs / Y. Zheng [et al.] // J. Mater. Chem. C. - 2018. - Vol. 6, Is. 15. - P. 4217-4224, DOI 10.1039/c8tc00165k. - Cited References: 47. - The present work was supported by the National Natural Science Foundation of China (Grant No. 21671070), the Project for Construction of High-level University in Guangdong Province, and the Teamwork Projects funded by the Guangdong Natural Science Foundation (Grant No. S2013030012842), and the Guangzhou Science & Technology Projects (No. 201704030086, 201605030005), and the reported study was funded by the RFBR according to the research project 17-52-53031. Special Funds for the Cultivation of Guangdong College Students’ Scientific and Technological Innovation (‘‘Climbing Program’’ Special Funds) were granted for Dr Yinjian Zheng. . - ISSN 2050-7534
   Перевод заглавия: Созамещение в Ca1−xYxAl12−xMgxO19 люминофорах: локальная структура, настройка фотолюминесценции и применение светодиодов для роста растений
Кл.слова (ненормированные):
CO substitution -- Crystal structure transformation -- High temperature solid-state reaction -- Lighting systems -- Local structure -- Luminescence measurements -- Structural refinement -- Tunable luminescences
Аннотация: Herein, Mn4+-activated Ca1-xYxAl12-xMgxO19 (x = 0-0.50) solid solutions were prepared using a conventional high-temperature solid-state reaction. Crystal structure transformation via chemical co-substitution of Y3+/Mg2+ for Ca2+/Al3+ was investigated in detail. The optical properties of Ca1-xYxAl12-xMgxO19 (x = 0-0.50) have been reported for the first time using a combination of techniques including structural refinement and luminescence measurements. Co-doping of Mg and Y cations within the CaAl12O19 host in a controlled manner resulted in the as-prepared samples with red/far-red ratio-tunable luminescence properties. The emission bands well-matched with the absorption band of phytochrome. Interestingly, enhanced Mn4+ luminescence can be obtained upon the addition of Mg2+ and Y3+. Unexpectedly, the quantum yields exhibit a slight change when x is in the range from 0.05 to 0.40; this indicates that these solid solutions have significant potential as lighting systems for plant growth.

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Guangdong Provincial Engineering Technology Research Center for Optical Agricultural, College of Materials and Energy, South China Agricultural University, Guangzhou, China
School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation

Доп.точки доступа:
Zheng, Y.; Zhang, H.; Xia, Z.; Liu, Y.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lei, B.
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