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Highly-efficiency far-red emission in Cr3+ activated Ca1.8Mg1.2Al2Ge3O12 toward plant precise lighting / Ch. Yang, D. Zheng, X. Zou [et al.] // Adv. Opt. Mater. - 2024. - Ст. 2303235, DOI 10.1002/adom.202303235. - Cited References: 48. - The work was supported by the National Natural Science Foundations of China (No. 12274144), the Guangdong Provincial Special Fund for Modern Agriculture Industry Technology Innovation Teams (No. 2023KJ122), the Key Realm R&D Program of Guangdong Province (No. 2021B0707010003), the Guangdong Provincial Science and Technology Project (No. 2022A1515010229), and the Project of GDUPS (2018) for Prof. Bingfu LEI . - Article in press. - ISSN 2195-1071
Кл.слова (ненормированные):
cationic substitution -- Cr3+-doped phosphor -- far-red emission -- plant lighting
Аннотация: Far-red (FR) region (beyond 700 nm) lighting sources possess special potential for plant lighting. However, it remains a challenge to obtain high-performance Cr3+-doped FR phosphors. This study developed a FR phosphor, Ca1.8Mg1.2Al2Ge3O12:Cr3+ (CMAGG: Cr3+), using the cation substitution strategy. Under 438 nm blue light excitation, the phosphors display FR emission centered at 720 nm with a full width at half maximum (FWHM) of 91 nm. Benefit from the favorable match with the FR phytochrome (Pfr), the phosphor is combined with InGaN blue light chips to create a FR phosphor-converted light-emitting diode (pc-LED), which is used in Italian lettuce growth experiments and it results shown in a 15% increase in fresh weight and a 6.5% increase in dry weight. Notably, supplemental FR light modulated its growth morphology. The results of this study will be useful for further research on novel Cr3+-doped FR phosphors to meet the precise spectral requirements for plant growth.

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Держатели документа:
Key Laboratory for Biobased Materials and Energy of Ministry of Education College of Materials and Energy, South China Agricultural University Guangzhou, Guangdong 510642, P. R. China
SBRAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
Maoming Branch Guangdong Laboratory for Lingnan Modern Agriculture Maoming, Guangdong 525100, P. R. China

Доп.точки доступа:
Yang, Ch.; Zheng, D.; Zou, X.; Dai, X.; Tang, B.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, X.; Zhang, H.; Liu, Y.; Lei, B.
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Структура и электрические свойства многослойных наноструктур (Mg/ZrO2)52 / О. В. Стогней, А. Н. Смирнов, А. В. Ситников, М. Н. Волочаев // Изв. РАН. Сер. физич. - 2023. - Т. 87, № 9. - С. 1348-1354, DOI 10.31857/S036767652370237X. - Библиогр.: 17. - Работа выполнена при поддержке Министерства науки и высшего образования Российской федерации в рамках темы государственного задания (проект FZGM-2023-0006), а также в рамках проекта по соглашению № 075-15-2021-709 (уникальный идентификатор проекта RF-2296.61321X0037; проведение контрольных измерений) . - ISSN 0367-6765
Аннотация: Методом ионно-лучевого распыления двух мишеней в среде аргона получены многослойные наноструктуры (Mg/ZrO2)52 отличающиеся друг от друга толщиной слоев Mg при одинаковой толщине слоев из ZrO2. Толщина одного бислоя (Mg + ZrO2) меняется от 3.6 до 8.5 нм. Установлено, что применение диоксида циркония предотвратило окисление фазы магния. Обнаружено наличие электрического порога перколяции при изменении морфологии магниевых слоев (переход от дискретной к сплошной морфологии) в результате увеличения толщины бислоя. Установлено изменение механизма электропереноса в многослойных наноструктурах (Mg/ZrO2)52 при переходе через порог перколяции.

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Переводная версия Structure and electrical properties of (Mg/ZrO2)52 multilayer nanostructures [Текст] / O. V. Stognei, A. N. Smirnov, A. V. Sitnikov, M. N. Volochaev. - 6 с. // Bull. Russ. Acad. Sci. Phys. - 2023. - Vol. 87 Is. 9.- P.1377-1382

Держатели документа:
Федеральное государственное бюджетное образовательное учреждение высшего образования “Воронежский государственный технический университет” Воронеж, Россия
Институт физики имени Л.В. Киренского Сибирского отделения Российской академии наук – обособленное подразделение Федерального государственного бюджетного научного учреждения Федеральный исследовательский центр “Красноярский научный центр Сибирского отделения Российской академии наук” Красноярск, Россия

Доп.точки доступа:
Стогней, О. В.; Смирнов, А. Н.; Ситников, А. В.; Волочаев, Михаил Николаевич; Volochaev, M. N.
}
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    Magnetite nanoparticles diluted with Co and Mg ions: magnetic properties and application / O. S. Ivanova, E. S. Svetlitsky, D. A. Petrov, Yu. V. Knyazev // Магнитные материалы. Новые технологии : тез. докл. IX Байкал. междунар. конф. BICMM-2023 / чл. прогр. ком.: S. S. Aplesnin [et al.] ; чл. орг. ком. R. S. Iskhakov [et al.]. - Иркутск, 2023. - P. 93, DOI 10.26516/978-5-9624-2178-0.2023.1-207. - Библиогр.: 1 . - ISBN 978-5-9624-2178-0
   Перевод заглавия: Наночастицы магнетита, разбавленные ионами Co и Mg: магнитные свойства и применение

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Держатели документа:
Kirensky Institute of Physics SB RAS
Siberian Federal University

Доп.точки доступа:
Aplesnin, S. S. \чл. прогр. ком.\; Аплеснин, Сергей Степанович; Balaev, D. A. \чл. прогр. ком.\; Балаев, Дмитрий Александрович; Ovchinnikov, S. G. \чл. прогр. ком.\; Овчинников, Сергей Геннадьевич; Iskhakov, R. S. \чл. орг. ком.\; Исхаков, Рауф Садыкович; Ivanova, O. S.; Иванова, Оксана Станиславовна; Svetlitsky, E. S.; Petrov, D. A.; Петров, Дмитрий Анатольевич; Knyazev, Yu. V.; Князев, Юрий Владимирович; Байкальская международная конференция "Магнитные материалы. Новые технологии"(9 ; 2023 ; сент. ; 11-14 ; Байкальск); "Магнитные материалы. Новые технологии", Байкальская международная конференция(9 ; 2023 ; сент. ; 11-14 ; Байкальск); "Magnetic materials. New tecnologies", Baikal International Conference(9 ; 2023 ; Sept. ; 11-14 ; Baikalsk); Иркутский государственный университет
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    Apatite oxynitride phosphor (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+: A single-phased host with solar-like and efficient emission / Y. Wu, W. Li, Y. Zheng [et al.] // J. Am. Ceram. Soc. - 2023. - Vol. 106, Is. 5. - P. 2985-2996, DOI 10.1111/jace.18981. - Cited References: 35. - This work was supported by the National Natural Science Foundation of China (Project No. 10804099, 21804119), Key projects of Zhejiang Natural Science Foundation (Project No. LZ18B050002), GDAS’ Project of Science and Technology Development (Nos. 2021GDASYL-20210103069, 2021GDASYL-20210103071) . - ISSN 0002-7820. - ISSN 1551-2916
   Перевод заглавия: Люминофор на основе оксинитрида апатита (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+: однофазная матрица с эффективным излучением почти солнечного спектра
Кл.слова (ненормированные):
apatite oxynitride -- color rendering index -- full-color-emitting phosphor -- quantum efficiency -- thermal stability
Аннотация: During pursuing high color rendering index for full-color-emitting phosphor, low quantum efficiency (QE) is usually accompanying. We intend to elevate the luminescence efficiency when realizing a solar-like spectra distribution, by constructing apatite structure oxynitride, inheriting high covalence and rigidity from oxynitride, and suitable multiple cation sites from oxyapatite compounds. Full-color-emitting apatite structure oxynitride phosphor (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+ has been prepared, and the crystal sites’ occupancies of activators in this host were favorable for white emission. (Mg,Y)5Si3(O,N)13:Ce3+,Mn2+ phosphor shows whole visible light with emission wavelength ranging from 370 to 750 nm, matching the spectra of sunlight quite well. The fabricated white light-emitting diode lamp demonstrated the distinctive overall performance of QE and chromaticity properties (Ra and R9). Furthermore, correlated color temperature is tunable from cool nature to warm white. The obtained lamp possesses the feature of less blue light hazard and high saturation of red degree, compared with the commercial YAG-based lamp.

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Держатели документа:
College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, China
Research Center of Analysis and Measurement, Zhejiang University of Technology, Hangzhou, China
Institute of Semiconductors, Guangdong Academy of Sciences, Guangzhou, China
School of Applied Physics and Materials, Wuyi University, Jiangmen, Guangdong, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russia

Доп.точки доступа:
Wu, Yanzheng; Li, Weiqiang; Zheng, Yifan; Xu, Yiqin; Wen, Dawei; Molokeev, M. S.; Молокеев, Максим Сергеевич; Pan, Zaifa
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    Synthesis and characterization of a new magnesium molybdates Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) with a langbeinite type structure / V. G. Grossman, M. S. Molokeev, B. G. Bazarov, J. G. Bazarova // Solid State Sci. - 2023. - Vol. 142. - Ст. 107249, DOI 10.1016/j.solidstatesciences.2023.107249. - Cited References: 39. - This work was supported by the state order of BINM SB RAS (0273-2021-0008). Research was conducted using equipment of the CCU BINM SB RAS. Some experiments were obtained with use the analytical equipment of analytical equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS”. M.S. Molokeev's work was carried out within the framework of the Strategic Academic Leadership Program “Priority-2030″ for the Siberian Federal University . - ISSN 1293-2558. - ISSN 1873-3085
   Перевод заглавия: Синтез и характеризация новых молибдатов магния Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) со структурой типа лангбейнита
Кл.слова (ненормированные):
Solid state method -- Langbeinite -- Thallium -- Impedance spectroscopy
Аннотация: In this work we have successfully synthesized pure phases of Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) langbeinite powders using the solid-state reaction method. Structural characterization was carried out via the Rietveld method on the X-ray powder diffraction data. The following unit cell parameters are calculated for Tl1.85K0.15Mg2(MoO4)3: a = 10.68509(16) A, V = 1219.93(6) A3, and for Tl1.85Rb0.15Mg2(MoO4)3: a = 10.69463(9) A, V = 1223.20(3) A3. The electrical conductivity was studied by impedance spectroscopy in the [473–1010 K] temperature range and results show that the Tl1.85M0.15Mg2(MoO4)3 (M = K, Rb) were ionic solid electrolyte conductors. Results also show that Tl1.85K0.15Mg2(MoO4)3 has the highest electrical conductivity.

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Держатели документа:
Baikal Institute of Nature Management, SB RAS, Sakhyanovoy St., 6, Ulan-Ude, 670047, Russia
Kirensky Institute of Physics, Federal Research Center KSC, Siberian Branch, Academy of Sciences, 50 / 38 Akademgorodok, Krasnoyarsk, 660036, Russia
Siberian Federal University, 82 Svobodniy Av., Krasnoyarsk, 660041, Russia
Department of Physics, Far Eastern State Transport University, Serysheva Str. 47, Khabarovsk, 680021, Russia

Доп.точки доступа:
Grossman, Victoria G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Bazarov, Bair G.; Bazarova, Jibzema G.
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Spectroscopically enhanced far-red phosphor Li2Mg3TiO6: Cr3+ and its application prospects to cold resistance of rice / Y. Ma, S. Li, J. Wei [et al.] // Mater. Adv. - 2023. - Vol. 4, Is. 22. - P. 5808-5816, DOI 10.1039/D3MA00654A. - Cited References: 41. - This work was supported by the National Natural Science Foundation of China (Grant No. 51974123), the Key R & D Projects in Hunan Province (2021SK2047, 2022NK2044), the Natural Science Foundation of Hunan Province, China (Grant No. 2021JJ40261), Wangcheng Science and Technology Plan (KJ221017), the science and technology innovation Program of Hunan Province (2022WZ1022). The work was supported by the Ministry of Science and Higher Education of the Russian Federation as part of World-class Research Center program: “Advanced Digital Technologies”, contract no. 075-15-2020-935 . - ISSN 2633-5409
Аннотация: Chemical unit co-substitution is a very effective strategy to improve the properties of phosphors. Due to the mismatch of the radii between substituted ions, unexpected properties are usually produced. Such properties are of profound significance to expand the research field. In this study, Mg2+-Ti4+ in Li2Mg3TiO6: Cr3+ was replaced by Al3+-Al3+ and Ga3+-Ga3+, while charge balance was maintained. Ion substitution changed the crystal field environment of activator ion, which increased the luminescence intensity by 180% and 184% respectively, accompanied by a slight decrease in thermal stability. In addition, the quantum efficiency was increased from 35.1% to 73.1%. The electroluminescence spectrum of the encapsulated pc-LED was examined, and the overlap with the absorption profile of the phytochrome Pfr was 61%. In order to verify the application prospect of far-red phosphor. A 15-day rice growth experiment was set up to detect surface traits, soluble sugars, soluble proteins, and the expression of OsphyA and OsCBF3 genes. It was demonstrated that rice under far-red light irradiation had significant resistance enhancement.

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Держатели документа:
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, PR China
Hunan Optical Agriculture Engineering Technology Research Center, Changsha 410128, PR China
Dongguan Ledstar Optoelectronics Technology Co., Ltd., PR China
World-Class Research Center “Advanced Digital Technologies”, University of Tyumen, Tyumen 625003, Russia

Доп.точки доступа:
Ma, Yibiao; Li, Siying; Wei, Jiaqi; Quan, Beibei; Liao, Weifang; Molokeev, M. S.; Молокеев, Максим Сергеевич; Cheng, Ming; Chen, Xiaoyan; Zhou, Zhi; Xia, Mao
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Structure and electrical properties of (Mg/ZrO2)52 multilayer nanostructures / O. V. Stognei, A. N. Smirnov, A. V. Sitnikov, M. N. Volochaev // Bull. Russ. Acad. Sci. Phys. - 2023. - Vol. 87, Is. 9. - P. 1377-1382, DOI 10.3103/S1062873823703343. - Cited References: 17. - This work was supported by the RF Ministry of Science and Higher Education as part of a State Task, project no. FZGM-2023-0006; and as part of project no. 075-15-2021-709 (unique identifier RF-2296.61321X0037; control measurements) . - ISSN 1934-9432. - ISSN 1062-8738
Аннотация: (Mg/ZrO2)52 multilayer nanostructures with different thicknesses of Mg layers and the same thickness of ZrO2 layers are obtained via the ion-beam sputtering of two targets in an argon medium. The thickness of one bilayer (Mg + ZrO2) varies from 3.6 to 8.5 nm. It is found that using zirconium dioxide prevents the oxidation of the magnesium phase. An electric percolation threshold is observed when the morphology of magnesium layers changes (a transition from discrete to continuous morphology) as a result of an increase in the bilayer thickness. A change of the electrotransport mechanism is identified in the (Mg/ZrO2)52 multilayer nanostructures upon passing through the percolation threshold.

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Публикация на русском языке Структура и электрические свойства многослойных наноструктур (Mg/ZrO2)52 [Текст] / О. В. Стогней, А. Н. Смирнов, А. В. Ситников, М. Н. Волочаев // Изв. РАН. Сер. физич. - 2023. - Т. 87 № 9. - С. 1348-1354

Держатели документа:
Voronezh State Technical University, 394006, Voronezh, Russia
Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, 660036, Krasnoyarsk, Russia

Доп.точки доступа:
Stognei, O. V.; Smirnov, A. N.; Sitnikov, A. V.; Volochaev, M. N.; Волочаев, Михаил Николаевич
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    Complex of ceftriaxone with Mg(II): Synthesis, structure, spectral and antibacterial properties / G. V. Novikova, D. I. Tsyplenkova, A. A. Kuzubov [et al.] // J. Sib. Fed. Univ. Chem. - 2023. - Vol. 16, Is. 1. - P. 5-15 ; Журн. СФУ. Химия. - Cited References: 28. - The research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project number 20–43–240007 . - ISSN 1998-2836. - ISSN 2313-6049
   Перевод заглавия: Комплекс цефтриаксона с Mg(II): синтез, структура, спектральные и антибактериальные свойства
Кл.слова (ненормированные):
cephalosporin antibiotic -- ceftriaxone -- magnesium -- density functional theory -- molecular spectroscopy -- antibacterial screening -- цефалоспориновые антибиотики -- цефтриаксон -- магний -- теория функционала плотности -- молекулярная спектроскопия -- антибактериальный скрининг
Аннотация: Magnesium complex of ceftriaxone was obtained and characterized by atomic-emission and elemental analysis, TGA, FTIR and Raman spectroscopy, X-ray diffraction and density functional theory calculations. Ceftriaxone was coordinated to the magnesium ion by the oxygen of the triazine cycle in the 6th position, the nitrogen of the amine group of the thiazole ring, and oxygen atoms of the lactam carbonyl and carboxylate groups. The disodium salt of ceftriaxone and magnesium complex were screened for antibacterial activity against Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa.
Получен и охарактеризован магниевый комплекс цефтриаксона методами атомно-эмиссионного и элементного анализов, ТГА, ИК- и КР‑спектроскопии, РФА и расчетов теории функционала плотности. Цефтриаксон координируется к иону магния через кислород триазинового цикла в шестом положении, азот аминогруппы тиазольного цикла и атомы кислорода карбоксильной и лактамной групп. Динатриевая соль цефтриаксона и комплекс магния были исследованы на антибактериальную активность в отношении Staphylococcus aureus, Escherichia coli и Pseudomonas aeruginosa.

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Держатели документа:
Siberian Federal University, Krasnoyarsk, Russian Federation
L.V. Kirensky Institute of Physics SB RAS Federal Research Center "Krasnoyarsk Science Center SB RAS", Krasnoyarsk, Russian Federation
Scientific Research Institute of Medical Problems of the North Federal Research Center “Krasnoyarsk Scientific Center of the SB RAS”, Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology SB RAS Federal Research Center "Krasnoyarsk Scientific Center of the SB RAS", Krasnoyarsk, Russian Federation

Доп.точки доступа:
Novikova, G. V.; Tsyplenkova, D. I.; Kuzubov, A. A.; Кузубов, Александр Александрович; Kolenchukova, O. A.; Samoilo, A. S.; Vorobyev, S. A.

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    Synthesis and characterization of nanoscale composite particles formed by 2D layers of Cu-Fe sulfide and Mg-based hydroxide / Y. L. Mikhlin, R. V. Borisov, S. A. Vorobyev [et al.] // J. Mater. Chem. A. - 2022. - Vol. 10, Is. 17. - P. 9621-9634, DOI 10.1039/d2ta00877g. - Cited References: 84. - This research was supported by the Russian Foundation for Basic Research, Krasnoyarsk Territory Administration and Krasnoyarsk Territory Science Foundation, project 20-43-242903. Facilities of the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” were employed in the work . - ISSN 2050-7488
   Перевод заглавия: Синтез и исследование наноразмерных композитных частиц, образованных двумерными слоями сульфида Cu-Fe и гидроксида на основе Mg
Кл.слова (ненормированные):
Binary alloys -- Copper compounds -- Electron energy levels -- Electron energy loss spectroscopy -- Electron scattering -- Light absorption -- Light scattering -- Magnesium compounds -- Near infrared spectroscopy -- Paramagnetism -- Sols -- Sulfur compounds -- X-ray photoelectron spectroscopy
Аннотация: We introduce here a multifunctional material composed of alternating atomic sulfide sheets close to the composition of CuFeS2 and Mg-based hydroxide ones (valleriite), which are assembled due to their electric charges of opposite sign. Valleriite particles 50-200 nm in lateral size and 10-20 nm in thickness were synthesized via a simple hydrothermal pathway using various concentrations of precursors and dopants, and examined with XRD, TEM, EDS, X-ray photoelectron spectroscopy, reflection electron energy loss spectroscopy (REELS), Mossbauer, Raman and UV-vis-NIR spectroscopies, and magnetization, dynamic light scattering, and zeta potential measurements. The electronic, magnetic and optical characteristics are found to be critically dependent on the charge (electron density) at the narrow-gap sulfide layers containing Cu+ and Fe3+ cations, and can be tuned via the composition of the hydroxide part. Particularly, substitution of Mg2+ with Al3+ increases the negative charge of the hydroxide layers and reduces the content of Fe3+-OH centers (10-45% of total iron); the effects of Cr and Co dopants entering both layers are more complicated. Mossbauer doublets of paramagnetic Fe3+ detected at room temperature transform into several Zeeman sextets at 4.2 K; the hyperfine fields up to 500 kOe and complex magnetic behavior, but not pure paramagnetism or antiferromagnetism, were observed for valleriites with the higher positive charge of the sulfide sheets, probably due to the depopulation of the minority-spin 3d states of S-bonded Fe3+ ions. Aqueous colloids of valleriite show optical absorption at 500-750 nm, which, along with the peaks at the same energies in REELS, may arise due to quasi-static dielectric resonance involving the vacant Fe 3d band and being dependent on the composition of both layers too. These and other findings call attention to valleriites as a new rich family of 2D materials for a variety of potential applications.

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Держатели документа:
Institute of Chemistry and Chemical Technology, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of sciences, Akademgorodok, 50/24, Krasnoyarsk, 660036, Russian Federation
Kirensky Institute of Physics, Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of sciences, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Svobodny av. 79, Krasnoyarsk, 660041, Russian Federation
Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of sciences”, Akademgorodok, 50, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Mikhlin, Y. L.; Borisov, R. V.; Vorobyev, S. A.; Tomashevich, Y. V.; Romanchenko, A. S.; Likhatski, M. N.; Karacharov, A. A.; Bayukov, O. A.; Баюков, Олег Артемьевич; Knyazev, Yu. V.; Князев, Юрий Владимирович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Nemtsev, I. V.; Немцев, Иван Васильевич
}
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10.

Zhandun, V. S.
The spin-state transition in ACo2O4 spinels (A = Be, Mg, Ca, Cd, Zn) / V. S. Zhandun, O. N. Draganyuk // J. Magn. Magn. Mater. - 2022. - Vol. 552. - Ст. 169206, DOI 10.1016/j.jmmm.2022.169206. - Cited References: 51. - The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Regional Fund of Science to the research projects № 19-42-240016: «Control of structural, magnetic, electronic, and optical properties by pressure and intercalation into functional compounds with a spinel structure containing 3d and 4f ions» and № 20-42-240004: “The effect of the composition, pressure, and dimension on the magnetic, electronic, optical, and elastic properties of the magnetic Mn+1AXn (M = Cr, Mn; Fe, A = Al, Ga, Si, Ge, P, In; X = C, N; n = 1-3) MAX-phases”. The calculations were performed with the computer resources of “Complex modeling and data processing research installations of mega-class” SRC “Kurchatovsky Institute” (http://ckp.urcki.ru) . - ISSN 0304-8853
Кл.слова (ненормированные):
Ab initio calculations -- Spinels -- Cobalt ion -- Oxides -- Spin-state transition -- Thin films -- Pressure
Аннотация: The magnetic and electronic properties of the Co-based spinel oxides ACo2O4 (A = Be, Mg, Ca, Zn, Cd) were studied within GGA + U approach. It was found that the Co3+ ion is in a low-spin state due to the effect of the crystal field of octahedral symmetry. It is shown that Co3+ ion undergoes a spin-state transition into the high-spin state under the critical pressure of P = −10 GPa – −20 GPa. This pressure-induced spin-state transition is caused by the redistribution of electrons between the t2g- and eg-orbitals arising with increasing interatomic distances. The role of interatomic distances between Co3+ ion and its ligands is discussed. Thin-film form also favors the appearance of a high-spin state of Co3+ ion. At the same critical pressure, there is a sharp increase in the majority spin bandgap and a sharp decrease in the minority spin bandgap. These findings allow manipulating the spin state of Co3+ ions and bandgap width through the pressure or strain arising in thin films.

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Держатели документа:
Kirensky Institute of Physics - Federal Research Center “Krasnoyarsk Science Centre, Siberian Branch of the Russian Academy of Sciences”, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Draganyuk, O. N.; Драганюк, Оксана Николаевна; Жандун, Вячеслав Сергеевич
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