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    Теоретическое исследование влияния допирования поверхности Si (100) на сорбцию и диффузию лития / А. А. Кузубов [и др.] // Вестник СибГАУ. - 2015. - Т. 16, № 3. - С. 743-749. - Библиогр.: 56. - Исследование выполнено при финансовой поддержке РФФИ в рамках научных проектов No 14-02-31071, 14-02-31309. Авторы выражают благодарность информационно-вычислительному центру (ИВЦ) Новосибирского государственного университета (Новосибирск), Институту компьютерного моделирования СО РАН (Красноярск), Межведомственному суперкомпьютерному центру РАН (Москва), компьютерному центру СФУ, а также НИВЦ МГУ «Лаборатории параллельных информационных технологий» (система СКИФ МГУ «Ломоносов») за предоставление возможности использования вычислительных кластеров, на которых были проведены все расчеты. . - ISSN 1816-9724
   Перевод заглавия: Theoretical study of Si (100) doping influence on lithium sorption and diffusion
Кл.слова (ненормированные):
диффузия -- литий -- кремний -- кремний -- допирование -- метод функционала плотности (DFT) -- diffusion -- lithium -- silicon -- doping -- DFT
Аннотация: В настоящее время перспективным анодным материалом нового поколения считается кремний, поскольку он имеет самую высокую теоретическую удельную емкость (4200 мАч/г). Однако одной из проблем, препятствующих широкому использованию данного материала, является медленная диффузия лития с поверхности кремния в объем, которая может быть решена с помощью модификации поверхности кремния. Проведено моделирование поверхностных процессов сорбции и диффузии лития в допированной поверхности Si (100) с помощью метода функционала плотности. В ходе исследования допирования Si (100) одиночными атомами B, Ga, Ge выявлено, что для всех выбранных нами допантов наиболее выгодны положения замещения кремния, а не адсорбции. Энергия связи допанта с пластиной кремния ослабевает в ряду от германия к галлию. Найдено, что атом бора замещает атом третьего слоя кремния, а германий и галлий занимают положение в первом слое. Тенденция первоначальной сорбции атомов лития в канале между димерами по сравнению с чистым материалом сохраняется и при допировании одиночными атомами B, Ga, Ge. Наблюдается значительное снижение (в случае бора) и увеличение (для галия и германия) энергетических барьеров перехода атома лития по поверхности кремниевой пластины. Величины энергетических барьеров перехода L-U с поверхности в приповерхностные слои при допировании возрастают на 0,05 эВ, что свидетельствует о замедлении данной стадии. В результате работы было обнаружено, что допирование бором, галлием и германием (концентрация составляет 0,3 атомных %) поверхности Si (100) не оказывает значительного влияния на сорбционные и диффузионные параметры.
Currently, silicon is the most promising anode material for a new generation of lithium-ion batteries due to its very high theoretical specific capacity (4200 mAh/g). However, one of the problems hindering the wider use of this material is the slow diffusion of lithium from silicon surface into volume that can be solved by modifying silicon surface. The simulation of surface processes of sorption and diffusion of lithium in doped Si (100) was carried out by using the density functional method. In the study Si (100) doped with single atoms B, Ga, Ge, found that the silicon replacement compared to adsorption are more profitable for all dopants. The binding energy of dopant to silicon decreases from germanium to gallium. It was found that boron atom substitutes for the third layer of silicon, germanium and gallium occupy positions in the first layer. In comparison with the pure material the trend of initial lithium sorption in the channel between silicon dimmers retain for Si (100) doped with single atoms of B, Ga, Ge. Energy barriers of lithium transition on silicon surface substantially reduce (in the case of boron) and increase (in the case of gallium and germanium). The energy barrier of transition from surface to surface layers L-U during the doping increases by 0.05 eV, this shows a moderation of the stage. According to the study, Si (100) doping with boron, gallium and germanium (concentration of 0.3 atomic %) has not significant influence on sorption and diffusion parameters.

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

Доп.точки доступа:
Кузубов, Александр Александрович; Kuzubov, A. A.; Михалева, Н. С.; Mikhaleva, N. S.; Попов, Захар Иванович; Popov, Z. I.; Краснов, Павел Олегович; Krasnov, P. O.; Николаева, К. М.; Nikolaeva, K. M.
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    Анализ распределения меди в кристаллах LiNBO3:Cu с поверхностным легированием / Р. И. Анисимов, А. А. Колмаков, А. С. Темерева [и др.] // XI Международная конференция по фотонике и информационной оптике : сборник научных трудов. - Москва, 2022. - С. 451-452. - Библиогр.: . - ISBN 978-5-7262-2842-6
   Перевод заглавия: Analysis of copper distribution in LiNBO3:Cu crystals with surface doping
Рубрики:

Аннотация: Представлены результаты исследований распределения примеси по глубине в структурах, сформированных термической диффузией меди в пластинах X-среза ниобата лития.

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Держатели документа:
Томский государственный университет систем управления и радиоэлектроники
Институт физики им. Л.В. Киренского СО РАН
Сибирский федеральный университет

Доп.точки доступа:
Анисимов, Р. И.; Колмаков, А. А.; Темерева, А. С.; Шараева, А. Е.; Шандаров, С. М.; Тимофеев, Иван Владимирович; Timofeev, I. V.; Пятнов, Максим Владимирович; Pyatnov, M. V.; Международная конференция по фотонике и информационной оптике(11 ; 2022 ; 26-28 янв. ; Москва); Российская академия наук; Национальный исследовательский ядерный университет "МИФИ"
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Zhandun, V. S.
The arising of ferromagnetism in Al-doped Mn2(Ga1−xAlx)C MAX phases / V. S. Zhandun, N. G. Zamkova, O. N. Draganyuk // J. Magn. Magn. Mater. - 2024. - Vol. 601. - Ст. 172193, DOI 10.1016/j.jmmm.2024.172193. - Cited References: 30. - The study was funded by a grant from the Russian Science Foundation # 23-22-10020 https://rscf.ru/project/23-22-10020/, Krasnoyarsk Regional Fund of Science. 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). The ternary phase diagrams for the calculation of formation enthalpies were taken from Materials Project (https://materialsproject.org) and OQMD (https://oqmd.org/) databases . - ISSN 0304-8853. - ISSN 1873-4766
Кл.слова (ненормированные):
MAX phases -- First-principle calculations -- Doping -- Magnetic properties -- Ferromagnetism -- Exchange constants
Аннотация: The magnetic properties of ordered MAX phases Mn2(AlxGa1−x)C (x = 0.125, 0.25, 0.5, 0.75 and 0.875) have been studied within the DFT-GGA. We have found that increase of Al atom at A-site leads to the formation of the ferromagnetic phase with large magnetization of about 3.6 μB/f.u. The investigation of the phase stability is performed by comparing the total energy of the MAX phases with that of a set of competitive phases for calculation of the phase formation enthalpy. Up to a concentration of Al atoms x = 0.7 the compound remains thermodynamically stable. The exchange constants analysis shows the crucial role of exchange interactions between manganese atoms along the c-axis in forming of ferromagnetism. The magnetic transition temperature of Mn2(AlxGa1−x)C alloys increases with increase of the aluminum concentration.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Professor L.F. Voino-Yasenetsky Krasnoyarsk State Medical University, Krasnoyarsk, 660022 Russia

Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Draganyuk, O. N.; Драганюк, Оксана Николаевна; Жандун, Вячеслав Сергеевич
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Zhandun, V. S.
Doping-induced changes in the electronic and magnetic properties of Mn- and Cr-based MAX phases / V. S. Zhandun, O. N. Draganyuk, N. G. Zamkova // V International Baltic Conference on Magnetism. IBCM : Book of abstracts. - 2023. - P. 17. - Cited References: 2. - РНФ № 23-22-10020

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

Доп.точки доступа:
Draganyuk, O. N.; Драганюк, Оксана Николаевна; Zamkova, N. G.; Замкова, Наталья Геннадьевна; Жандун, Вячеслав Сергеевич; International Baltic Conference on Magnetism(5 ; 2023 ; Aug. 20-24 ; Svetlogorsk, Russia); Балтийский федеральный университет им. И. Канта
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Zamkova, N. G.
The behaviour of ferroelectric instability in the ABO3 (A= Ba, Sr, Pb; B= Ti, Zr) perovskites with doping Bi+3 and La+3 ions / N. G. Zamkova, V. I. Zinenko // Abstracts of the 10th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity. - 2010. - P. 167

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Доп.точки доступа:
Zinenko, V. I.; Зиненко, Виктор Иванович; Замкова, Наталья Геннадьевна; Russia/CIS/Baltic/Japan Symposium on Ferroelectricity(10 ; 2010 ; June 20-25 ; Yokohama, Japan)
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Val'kov, V. V.
Splitting of the lower subband of Hubbard fermions in the Shubin-Vonsowsky model under the influence of strong intersite correlations / V. V. Val'kov, M. M. Korovushkin // J. Exp. Theor. Phys. - 2011. - Vol. 112, Is. 1. - P. 108-120, DOI 10.1134/S1063776110061056. - Cited References: 26. - We express our deep gratitude to R. O. Zaitsev for numerous remarks and discussions. We are grateful to A. A. Golovnya, A. A. Shklyaev, and V. A. Mitskan for specific advice on the numerical calculations of the mass operator. This work was supported by the "Quantum Condensed Matter Physics" Program of the Presidium of the Russian Academy of Sciences, the Russian Foundation for Basic Research (project no. 10-02-00251), the "Scientific and Scientific-Pedagogical Personnel of Innovational Russian for 2009-2013" Federal Goal-Oriented Program, and the Interdisciplinary Integration Project no. 53 of the Siberian Branch of the Russian Academy of Sciences. One of us (M. K.) thanks Lavrentiev's contest of youth projects of the Siberian Branch of the Russian Academy of Sciences. . - ISSN 1063-7761

РУБ Physics, Multidisciplinary
Рубрики:
NARROW ENERGY BANDS
ELECTRON CORRELATIONS
Кл.слова (ненормированные):
Cooper channels -- Cooper instability -- Density of electronic state -- Doping levels -- Electron concentration -- Energy structures -- Hubbard -- Hubbard operators -- Interaction energies -- Intersite correlation -- Mott-Hubbard insulator -- Nonuniform -- Renormalization -- Root mean squares -- Scattering amplitudes -- Spectral intensity -- Split-off band -- Strongly correlated fermions -- Sub-bands -- Doping (additives) -- Superconducting transition temperature
Аннотация: The diagram technique for Hubbard operators is used to investigate the influence of intersite Coulomb interactions on the energy structure and Cooper instability of strongly correlated fermions. Allowance for intersite correlations in doped Mott-Hubbard insulators is shown to lead to a splitting of the lower subband of Hubbard fermions and to the formation of a band of fluctuation states as soon as the intersite interaction energy becomes comparable to or exceeds the mean kinetic energy. The spectral intensity of the splitoff band is proportional to the root-mean-square fluctuation of the occupation numbers and increases with doping level. The predicted effect changes significantly the structure of the density of electronic states. This leads to a renormalization of the pole of the scattering amplitude in the Cooper channel and manifests itself as a nonuniform (in electron concentration) modification of the dependence of the critical superconducting transition temperature.

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Держатели документа:
[Val'kov, V. V.
Korovushkin, M. M.] Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
[Val'kov, V. V.] Reshetnev Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia
ИФ СО РАН
Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk 660036, Russian Federation
Reshetnev Siberian State Aerospace University, Krasnoyarsk 660014, Russian Federation

Доп.точки доступа:
Korovushkin, M. M.; Коровушкин, Максим Михайлович; Вальков, Валерий Владимирович
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Val'kov, V. V.
Lower subband splitting and superconductivity of 2D Hubbard fermions with strong intersite correlations / V. V. Val'kov, M. M. Korovushkin // Bull. Russ. Acad. Sci. Phys. - 2012. - Vol. 76, Is. 2. - P. 133-135, DOI 10.3103/S1062873812020074. - Cited References: 6. - This study was supported by Quantum Physics of Condensed Matter program of the Presidium of the Russian Academy of Sciences; the Russian Foundation for Basic Research, project np. 10-02-00251; the federal target program Scientists and Science Teachers of an Innovate Russia, 2009-2013; the Siberian Branch of the Russian Academy of Sciences, complex integration project no. 53; RF Presidential Grant MK-1300.2011.2; and the Siberian Branch of the Russian Academy of Sciences' Lavrent'ev Competition for Young Scientists. . - ISSN 1062-8738
Кл.слова (ненормированные):
Coulomb correlations -- Doping levels -- Electron structures -- Fermi state -- Hubbard -- Intersite correlation -- Mean-square fluctuations -- Spectral intensity -- Split-off band -- Subbands -- Natural sciences
Аннотация: The effect of the strong intersite Coulomb correlations on the formation of an electron structure in the Shubin-Vonsowsky model in the regime of strong one-site correlations is studied. The results reveal a split-off band of the Fermi states. The spectral intensity of this band grows with the enhancement of the doping level and is determined by the mean-square fluctuation of occupation numbers. This changes the structure of the electron density of states qualitatively. © 2012 Allerton Press, Inc.

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Публикация на русском языке Вальков, Валерий Владимирович. Расщепление нижней подзоны и сверхпроводимость 2D-фермионов Хаббарда при сильных межузельных корреляциях [Текст] / В. В. Вальков, М. М. Коровушкин // Изв. РАН. Сер. физич. - 2012. - Т. 76 № 2. - С. 158-160

Доп.точки доступа:
Korovushkin, M. M.; Коровушкин, Максим Михайлович; Вальков, Валерий Владимирович; International Symposium "Nanophysics and Nanoelectronics-2011" (March 2011 ; Nizhni Novgorod)
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    Unraveling the mechanochemical synthesis and luminescence in MnII-based two-dimensional hybrid perovskite (C4H9NH3)2PbCl4 / G. J. Zhou [et al.] // Sci. China Mater. - 2019. - Vol. 62, Is. 7. - P. 1013-1022, DOI 10.1007/s40843-018-9404-4. - Cited References: 40. - The present work was supported by the National Natural Science Foundation of China (91622125, 51722202 and 51572023) and the Natural Science Foundation of Beijing (2172036), and Molokeev M acknowledges the support of the Russian Foundation for Basic Research (17-52-53031). The DFT calculation was carried out at the National Supercomputer Center in Tianjin, and the calculations were performed on TianHe-1(A). . - ISSN 2095-8226. - ISSN 2199-4501
   Перевод заглавия: Открытие механохимического синтеза и люминесценции в двумерном гибридном перовските (C4H9NH3)2PbCl4 с допированием MnII

РУБ Materials Science, Multidisciplinary
Рубрики:
DOPANT ENERGY-TRANSFER
   EMISSION
   EXCITON
   MODEL
Кл.слова (ненормированные):
2D hybrid perovskite -- mechanochemical -- Mn-doping -- luminescence -- phosphor
Аннотация: The mechanochemical route is a facile and fast way and has received much attention for developing versatile advanced functional materials. Herein, we reported a mechanochemical synthesis for incorporating divalent manganese ions (MnII) into a two-dimensional (2D) hybrid perovskite (C4H9NH3)2PbCl4. The mild external stimuli originating from the grinding at room temperature enabled the formation of MnII-doped 2D hybrid perovskites, and rapidly changed the luminescence characteristics. The photoluminescence analyses show that the violet and orange emissions are attributed to (C4H9NH3)2Pb1–xMnxCl4 band-edge emission and the T1→6A1 transition of Mn2+ resulting from an efficient energy transfer process, respectively. Site preference and distribution of the doped Mn2+ cations on the locations of Pb2+ were analyzed. The formation energy calculated by the density functional theory (DFT) indicates that the Mn2+ ions can rapidly enter the crystal lattice due to the unique 2D crystal structure of the hybrid perovskite. Such a case of mechanochemical synthesis for the 2D hybrid perovskite motivates many novel emerging materials and the related applications.

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Держатели документа:
Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing Municipal Key Lab New Energy Mat & Techno, Beijing 100083, Peoples R China.
Beihang Univ, Minist Educ, Sch Phys, Key Lab Micronano Measurement Manipulat & Phys, Beijing 100191, Peoples R China.
RAS, SB, KSC, Lab Crystal Phys,Kirensky Inst Phys,Fed Res Ctr, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.

Доп.точки доступа:
Zhou, Guojun; Guo, Shaoqiang; Zhao, Jing; Molokeev, M. S.; Молокеев, Максим Сергеевич; Liu, Quanlin; Zhang, Junying; Xia, Zhiguo
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Tuning the peak effect by in Y1-xNdxBa2Cu3O7-δ compound by Nd doping / S. V. Semenov [et al.] // Moscow International Symposium on Magnetism (MISM-2017) : 1-7 July 2017 : book of abstracts. - 2017. - Ст. 3PO-I-19. - P. 576. - Библиогр.: 4

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Semenov, S. V.; Семёнов, Сергей Васильевич; Gokhfeld, D. M.; Гохфельд, Денис Михайлович; Balaev, D. A.; Балаев, Дмитрий Александрович; Yakimov, I. S.; Petrov, M. I.; Петров, Михаил Иванович; Moscow International Symposium on Magnetism(7 ; 2017 ; Jul. ; Moscow); Московский государственный университет им. М.В. Ломоносова; Российский фонд фундаментальных исследований
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10.

Triplet-triplet energy transfer from Bi3+to Sb3+in zero-dimensional indium hybrids via a B-site co-doping strategy toward white-light emission / Q. Ren, J. Zhang, M. S. Molokeev [et al.] // Inorg. Chem. Front. - 2022. - Vol. 9, Is. 22. - P. 5960-5968, DOI 10.1039/d2qi01631a. - Cited References: 60. - This work was supported by the Natural Science Foundation of Shanxi Province (No. 20210302124054), the National Natural Science Foundation of China (No. 21871167), the Science and Technology Innovation Project of Colleges and Universities in Shanxi Province (No. 2021L262), the 1331 Project of Shanxi Province and the Postgraduate Innovation Project of Shanxi Normal University (No. 2021XSY040), and funded by RFBR according to the research project No. 19-52-80003 . - ISSN 2052-1553
Кл.слова (ненормированные):
Co-doping -- Doping strategies -- Lightemitting diode -- Lone pair -- Low dimensional -- Photoluminescence properties -- Triplet-triplet energy transfer -- White light emission -- Widely tunable -- Zero-dimensional -- Metal halides
Аннотация: Low-dimensional metal halides have emerged as promising platforms for the development of new-generation phosphor-converted light emitting diodes (pc-LEDs), in which zero-dimensional (0D) hybrids with lone-pair ns2 states, in particular, show unprecedented competitiveness owing to their fascinating photoluminescence (PL) properties. Herein, we designed a novel 0D indium hybrid, (C20H20P)2InCl5, and proposed a co-doping strategy to incorporate Bi3+ (6s2) and Sb3+ (5s2) ions into this indium hybrid. Widely tunable emissions from blue to red are achieved, which are assigned to the triplet self-trapped excitons (STEs) (3P1 → 1S0) of Bi3+ (476 nm) and Sb3+ (658 nm), respectively. Importantly, an uncommon triplet–triplet energy transfer from Bi3+ to Sb3+ contributes to tunable dual emissions, and enables a single-phase cool white-light emission under ultraviolet (UV) excitation. Moreover, the energy transfer mechanism is discussed clearly by fluorescence photon dynamic analysis and DFT calculations. This work provides a deeper insight into triplet–triplet energy transfer, as well as presents a new model system for tuning the PL behaviours of ns2 configuration dopants.

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Держатели документа:
Key Laboratory of Magnetic Molecules and Magnetic Information Materials (Ministry of Education), School of Chemistry and Material Science, Shanxi Normal University, Taiyuan, 030031, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center Ksc Sb Ras, Krasnoyarsk, 660036, Russian Federation
Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, 680021, Russian Federation
College of Chemistry & Chemical Engineering, Key Laboratory of Interface Science and Engineering in Advanced Material, Ministry of Education, Taiyuan University of Technology, Shanxi, Taiyuan, 030024, China

Доп.точки доступа:
Ren, Q.; Zhang, J.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhou, G.; Zhang, X. -M.
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11.

Thin fullerene-containing films synthesized by ion beam sputtering of fullerene mixtures with doping additives in vacuum / A. P. Semenov [et al.] // Tech. Phys. Lett. - 2005. - Vol. 31, Is. 12. - P. 1022-1025, DOI 10.1134/1.2150887. - Cited References: 11 . - ISSN 1063-7850

РУБ Physics, Applied
Рубрики:
DISCHARGE
Аннотация: A new approach to the synthesis of films containing fullerenes and doping elements is described. It is suggested that a cluster mechanism of the target sputtering by accelerated ions makes possible the deposition of fullerenes on a substrate with a certain probability for dopant atoms being introduced into the cavities of fullerene molecules and a higher probability of their occurrence between fullerene molecules. The proposed method has been experimentally implemented by using an Ar+ ion beam to sputter C-60 /C-70 fullerene mixtures (synthesized in a plasmachemical reactor at a pressure of 10(5) Pa) pressed into disk targets with a doping element (Fe, Na, B, Gd, or Se). The ion beam sputtering of dopant-containing fullerene mixtures in a vacuum of similar to 10(-2) Pa allowed micron-thick films containing C-60 and C-70 fullerenes and the corresponding dopant element (Fe, Na, B, Gd, or Se) to be grown on quartz substrates. (C) 2005 Pleiades Publishing, Inc.

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Держатели документа:
Russian Acad Sci, Siberian Div, Presidium Buryatian Sci Ctr, Dept Phys Problems, Ulan Ude, Buryatia, Russia
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk, Russia
Russian Acad Sci, Siberian Div, Inst Geol, Ulan Ude, Buryatia, Russia
ИФ СО РАН
Department for Physical Problems, Presidium of the Buryatian Scientific Center, Russian Academy of Sciences, Ulan-Ude, Buryatia, Russian Federation
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Institute of Geology, Siberian Division, Russian Academy of Sciences, Ulan-Ude, Buryatia, Russian Federation

Доп.точки доступа:
Semenov, A. P.; Semenova, I. A.; Bulina, N. V.; Булина, Наталья Васильевна; Lopatin, V. A.; Лопатин, Владислав Александрович; Karmanov, N. S.; Churilov, G. N.; Чурилов, Григорий Николаевич
}
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12.

The Fermi surface and the role of electronic correlations in Sm2-xCexCuO4 / M. M. Korshunov [et al.] // J. Phys.: Condens. Matter. - 2010. - Vol. 22, Is. 1. - Ст. 15701, DOI 10.1088/0953-8984/22/1/015701. - Cited References: 35. - We would like to thank A A Kordyuk and I Eremin for useful discussions. The authors acknowledge support from RFBR (grants 08-02-00021, 10-02-00662, 08-02-91200 and 07-02-00226), the RAS programs on 'Low temperature quantum phenomena', 'Quantum physics of condensed matter' and 'Strongly correlated electrons solids', President of Russia (grants MK-614.2009.2 (IN) and MK-3227.2008.2 (ZP)), Scientific School (grant SS-1929.2008.2), Interdisciplinary UB-SB RAS project, Dynasty Foundation (ZP) and Russian Science Support Foundation (IN). . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
T-C SUPERCONDUCTOR
   IN-GAP STATES
   SPIN CORRELATIONS
   BAND
   LA2-XSRXCUO4
   EXCITATIONS
   TRANSITION
   EVOLUTION
   SM2CUO4
   OXIDES
Кл.слова (ненормированные):
Antiferromagnetics -- Doping evolution -- Electron-doped -- Electronic correlation -- Emery model -- Experimental data -- Generalized tight bindings -- High-T -- Hybrid scheme -- Magnetic orders -- Spin-liquid -- Tight binding model -- Two-regime -- Antiferromagnetism -- Cerium -- Cerium compounds -- Copper oxides -- Corundum -- Doping (additives) -- Fermi surface -- Fermions -- Tin -- Surfaces
Аннотация: Using a LDA + GTB (local density approximation + generalized tight-binding) hybrid scheme we investigate the band structure of the electron-doped high-T-c material Sm2-xCexCuO4. Parameters of the minimal tight-binding model for this system (the so-called three-band Emery model) were obtained within the NMTO (Nth-order muffin-tin orbital) method. The doping evolution of the dispersion and the Fermi surface in the presence of electronic correlations was investigated in two regimes of magnetic order: short-range (spin-liquid) and long-range (antiferromagnetic metal). Each regime is characterized by the specific topologies of the Fermi surfaces and we discuss their relation to recent experimental data.

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Держатели документа:
[Korshunov, M. M.] Max Planck Inst Phys Komplexer Syst, D-01187 Dresden, Germany
[Korshunov, M. M.
Zakharova, E. V.
Ovchinnikov, S. G.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Nekrasov, I. A.] Russian Acad Sci, Inst Electrophys, Ekaterinburg 620016, Russia
[Pchelkina, Z. V.] Russian Acad Sci, Inst Met Phys, Ekaterinburg 620219, Russia
[Ovchinnikov, S. G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
ИФ СО РАН
Max-Planck-Institut fur Physik Komplexer Systeme, D-01187 Dresden, Germany
L v Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Institute for Electrophysics, Russian Academy of Sciences, Ekaterinburg 620016, Russian Federation
Institute for Metal Physics, Russian Academy of Sciences, Ekaterinburg 620219, Russian Federation
Siberian Federal University, Krasnoyarsk 660041, Russian Federation

Доп.точки доступа:
Korshunov, M. M.; Коршунов, Максим Михайлович; Zakharova, E. V.; Nekrasov, I. A.; Pchelkina, Z. V.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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13.

    The effects of Ga3+ substitution on local structure and photoluminescence of Tb3Al5O12:Ce garnet phosphor / J. Bi [et al.] // Ceram. Int. - 2018. - Vol. 44, Is. 7. - P8684-8690, DOI 10.1016/j.ceramint.2018.02.104. - Cited References: 30 . - ISSN 0272-8842
   Перевод заглавия: Эффект замещения Ga3+ в Tb3Al5O12:Ce гранате на локальную структуру и люминесценцию
Кл.слова (ненормированные):
TbAG:Ce -- Ga doping -- Crystal structure -- Photoluminescence
Аннотация: Tb0.985Ce0.015)3(Al1-xGax)5O12 garnet phosphors (x = 0, 0.1, 0.2, 0.3, and 1.0) were prepared by calcining their coprecipitated precursors in air at 1500 °C, followed by reduction in hydrogen at 1200 °C. Rietveld refinement of the XRD results suggested that the Ga dopant predominantly resides at the octahedral Al site of the garnet lattice. Ga doping led to linearly expanded lattice constant, cell volume and theoretical density of the garnet compound and successively lower intensity and longer average fluorescence lifetime of the ~ 570 nm emission of Ce3+. Blue shifted emission and 4f(2F5/2)→5d1(E2g) excitation and red shifted 4f(2F5/2)→5d2(E2g) excitation were also observed for the Ce3+ activator at a higher Ga content. The phenomena were interpreted by considering the band structure of the host, distortion of the CeO8 polyhedron, and centroid shift and field splitting of the Ce3+ 5d energy levels.

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Держатели документа:
Key Laboratory for Anisotropy and Texture of Materials (Ministry of Education), Northeastern University, Shenyang, Liaoning, China
Institute of Ceramics and Powder Metallurgy, School of Materials Science and Engineering, Northeastern University, Shenyang, Liaoning, China
State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals, Kunming Institute of Precious Metal, Kunming, Yunnan, China
College of New Energy, Bohai University, New Songshan District, Jinzhou, Liaoning, 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
Siberian Federal University, Krasnoyarsk, Russian Federation
Research Center for Functional Materials, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki, Japan

Доп.точки доступа:
Bi, J.; Wang, X.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhu, Q.; Li, X.; Chen, J.; Sun, X.; Kim, B. -N.; Li, J. -G.
}
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14.

The behavior of ferroelectric instability in the perovskite srtio3 with doping trivalent ions Sc3+, In3+, La3+, Bi 3+ / N. G. Zamkova, V. I. Zinenko // Ferroelectrics. - 2011. - Т. 414, № 1. - P. 105-112, DOI 10.1080/00150193.2011.577315 . - ISSN 0015-0193. - ISSN 1563-5112

ГРНТИ

РИНЦ
Держатели документа:
L.V. Kirensky Institute of Physics,Siberian Branch,Russian Academy of Science
Доп.точки доступа:
Zamkova, N. G.; Замкова, Наталья Геннадьевна; Zinenko, V. I.; Зиненко, Виктор Иванович
}
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15.

    Temperature and Eu2+-doping induced phase selection in NaAlSiO4 polymorphs and the controlled yellow/blue emission / M. Zhao [et al.] // Chem. Mater. - 2017. - Vol. 29, Is. 15. - P. 6552-6559, DOI 10.1021/acs.chemmater.7b02548. - Cited References: 48. - The present work was supported by the National Natural Science Foundation of China (Grants 91622125 and 51572023 and 11574003), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-16-002A3). L.N. acknowledges the support from the Special and Excellent Research Fund of Anhui Normal University. . - ISSN 0897-4756
   Перевод заглавия: Фазовый переход индуцированный температурой и допированием Eu2+ в NaAlSiO4, и контролируемое излучение желтого/голубого света
Кл.слова (ненормированные):
Chemical modification -- Coordination reactions -- Europium -- Light emitting diodes -- Photoluminescence -- Functional properties -- High color rendering index -- Local coordination structures -- Near ultraviolet excitations -- Structural transformation -- Synthesis temperatures -- Temperature dependent -- White light emitting diodes -- Density functional theory
Аннотация: The union of temperature-dependent phase transition and relating structural transformation via modification of chemical compositions is of fundamental importance for the discovery of new materials or their functional properties optimization. Herein, the synthesis temperature and Eu2+-doping content induced phase selection and variations of the local structures in nepheline, low-carnegieite and high-carnegieite types of NaAlSiO4 polymorphs were studied in detail. The luminescence of Eu2+ in low-carnegieite and nepheline phases shows blue (460 nm) and yellow (540 nm) broad-band emissions, respectively, under near-ultraviolet excitation. The photoluminescence evolution can be triggered by the different synthesis temperatures in relation to the Eu2+-doping concentration, as corroborated by density functional theory calculations on the local coordination structures and corresponding mechanical stabilities in terms of the Debye temperature. The fabricated white light-emitting diode device with high color rendering index demonstrates that the multicolor phosphors from one system provides a new gateway for the photoluminescence tuning. © 2017 American Chemical Society.

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Держатели документа:
Beijing Municipal Key Laboratory of New Energy Materials and Technologies, 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
Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Anhui Key Laboratory of Optoelectronic Materials Science and Technology, Department of Physics, Anhui Normal University, Wuhu, Anhui, China

Доп.точки доступа:
Zhao, M.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Ning, L.; Liu, Q.
}
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16.

Temperature and doping dependent short range antifferomagnetic order and pseudogap formation in hole-doped cuprates / S. G. Ovchinnikov, V. I. Kuzmin, S. V. Nikolaev, M. A. Visotin // 8th International conference on supercondactivity and magnetism (ICSM2023) : abstract book. - 2023. - Ст. 159. - P. 248. - Cited References: 1

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

Доп.точки доступа:
Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Kuzmin, V. I.; Кузьмин, Валерий Ипполитович; Nikolaev, S. V.; Visotin, M. A.; Высотин, Максим Александрович; International Conference on Supercondactivity and Magnetism(8 ; 2023 ; May 4-11 ; Ölüdeniz-Fethiye, Turkey)
}
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17.

    Su, Binbin.
    Unveiling Mn2+ dopant states in two-dimensional halide perovskite toward highly efficient photoluminescence / B. B. Su, M. S. Molokeev, Z. G. Xia // J. Phys. Chem. Lett. - 2020. - Vol. 11, Is. 7. - P. 2510-2517, DOI 10.1021/acs.jpclett.0c00593. - Cited References: 49. - This work is supported by the National Natural Science Foundation of China (51961145101, 51972118, and 51722202), Fundamental Research Funds for the Central Universities (D2190980), the Guangdong Provincial Science & Technology Project (2018A050506004), and the Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program (2017BT01X137). This work is also funded by RFBR according to the research project no. 19-52-80003. . - ISSN 1948-7185
   Перевод заглавия: Открытие легирующих состояний Mn2 + в двумерном галоидном перовските для высокоэффективной фотолюминесценции

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical
Рубрики:
LEAD BROMIDE PEROVSKITES
   ENERGY-TRANSFER
   EXCITON DYNAMICS
   DOPING MN2+
Аннотация: Doping is able to create novel optoelectronic properties of halide perovskites, and the involved mechanism of efficient emission is still a challenge. Herein Mn2+ substitution into 2D layered perovskites (C8H20N2)PbBr4 was investigated, demonstrating broad-band orange-red emission originating from the 4T1 → 6A1 transition of Mn2+ dopant. The photoluminescence quantum yield (PLQY) of Mn2+ emission is up to 60.8% related to the energy transfer in coupled states. We verify that an actual Mn2+ dopant as low as 0.476% reaches a high PLQY, whereas the nominal adding amount is 0.8 as the Mn2+/Pb2+ ratio. The small activation energy (∼6.72 meV) between the Mn2+ d state and the trap state accounts for this highly efficient energy transfer and photoluminescence. The proposed luminescence mechanism in Mn2+-doped 2D halide perovskites would provide unique insights into the doping design toward high-performance luminescence materials.

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Держатели документа:
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangdong Prov Key Lab Fiber Laser Mat & Appl Tec, Sch Mat Sci & Technol, Guangzhou 510640, Guangdong, Peoples R China.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Far Eastern State Transport Univ, Dept Phys, Khabarovsk 680021, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Xia, Zhiguo
}
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18.

    Structure and magnetic properties of biogenic ferrihydrite nanoparticles doped with gadolinium / S. V. Stolyar [et al.] // J. Sib. Fed. Univ. Math. Phys. - 2013. - Vol. 6, Is. 3. - P. 358-365 ; Журн. СФУ. Сер. "Математика и физика" . - ISSN 1997-1397
   Перевод заглавия: Структура и магнитные свойства биогенных наночастиц ферригидрита, легированных гадолинием
Кл.слова (ненормированные):
ferrihydrite nanoparticle -- bacterial culture Klebsiela oxytoca -- Mössbauer spectroscopy -- gadolinium doping
Аннотация: Bacterial culture Klebsiella oxytoca was grown in a Lovley medium at various concentrations of gadolinium salt. Biogenic magnetic nanoparticles of ferrihydrite were investigated by Mossbauer spectroscopy and magnetization curves were obtained. The results of structural studies showed that iron Fe(5) takes new position when cultivating is carried out in medium with high concentrations of gadolinium. It was found that gadolinium is fit into the crystal structure of ferrihydrite. These results are consistent with the analysis of the magnetization curves.

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Доп.точки доступа:
Stolyar, S. V.; Столяр, Сергей Викторович; Bayukov, O. A.; Баюков, Олег Артемьевич; Ladygina, V. P.; Ischenko, L. A.; Iskhakov, R. S.; Исхаков, Рауф Садыкович

}
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19.

Structural, optical, and electronic properties of Cu-doped TiNxOy grown by ammonothermal atomic layer deposition / F. A. Baron, Y. L. Mikhlin, M. S. Molokeev [et al.] // ACS Appl. Mater. Interfaces. - 2021. - Vol. 13, Is. 27. - P. 32531-32541, DOI 10.1021/acsami.1c08036. - Cited References: 69. - This research was funded by the RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science (project code 20-42-240013) and by the grant of the Government of the Russian Federation for Creation of World Tier Laboratories (contract no. 075-15-2019-1886) . - ISSN 1944-8244. - ISSN 1944-8252

РУБ Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
OXYNITRIDE THIN-FILMS
TITANIUM-NITRIDE
CONFORMAL TIN
Кл.слова (ненормированные):
atomic layer deposition -- titanium oxynitride -- copper doping -- surface segregation -- thin film
Аннотация: Copper-doped titanium oxynitride (TiNxOy) thin films were grown by atomic layer deposition (ALD) using the TiCl4 precursor, NH3, and O2 at 420 °C. Forming gas was used to reduce the background oxygen concentration and to transfer the copper atoms in an ALD chamber prior to the growth initiation of Cu-doped TiNxOy. Such forming gas-mediated Cu-doping of TiNxOy films had a pronounced effect on their resistivity, which dropped from 484 ± 8 to 202 ± 4 μΩ cm, and also on the resistance temperature coefficient (TCR), which decreased from 1000 to 150 ppm °C–1. We explored physical mechanisms causing this reduction by performing comparative analysis of atomic force microscopy, X-ray photoemission spectroscopy, X-ray diffraction, optical spectra, low-temperature transport, and Hall measurement data for the samples grown with and without forming gas doping. The difference in the oxygen concentration between the films did not exceed 6%. Copper segregated to the TiNxOy surface where its concentration reached 0.72%, but its penetration depth was less than 10 nm. Pronounced effects of the copper doping by forming gas included the TiNxOy film crystallite average size decrease from 57–59 to 32–34 nm, considerably finer surface granularity, electron concentration increase from 2.2(3) × 1022 to 3.5(1) × 1022 cm–3, and the electron mobility improvement from 0.56(4) to 0.92(2) cm2 V–1 s–1. The DC resistivity versus temperature R(T) measurements from 4.2 to 300 K showed a Cu-induced phase transition from a disordered to semimetallic state. The resistivity of Cu-doped TiNxOy films decreased with the temperature increase at low temperatures and reached the minimum near T = 50 K revealing signatures of the quantum interference effects similar to 2D Cu thin films, and then, semimetallic behavior was observed at higher temperatures. In TiNxOy films grown without forming gas, the resistivity decreased with the temperature increase as R(T) = – 1.88T0.6 + 604 μΩ cm with no semimetallic behavior observed. The medium range resistivity and low TCR of Cu-doped TiNxOy make this material an attractive choice for improved matching resistors in RF analog circuits and Si complementary metal–oxide–semiconductor integrated circuits.

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Держатели документа:
KSC SB RAS, Inst Chem & Chem Technol, Fed Res Ctr, Krasnoyarsk 660036, Russia.
KSC SB RAS, Kirensky Inst Phys, Fed Res Ctr, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.

Доп.точки доступа:
Baron, F. A.; Барон, Филипп Алексеевич; Mikhlin, Yurii L.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Rautskiy, M. V.; Рауцкий, Михаил Владимирович; Tarasov, I. A.; Тарасов, Иван Анатольевич; Volochaev, M. N.; Волочаев, Михаил Николаевич; Shanidze, L. V.; Шанидзе, Лев Викторович; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Smolyarova, T. E.; Смолярова, Татьяна Евгеньевна; Konovalov, Stepan O.; Zelenov, Fyodor, V; Tarasov, A. S.; Тарасов, Антон Сергеевич; Volkov, N. V.; Волков, Никита Валентинович; RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science [20-42-240013]; Government of the Russian Federation for Creation of World Tier Laboratories [075-15-2019-1886]
}
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20.

Structural features and magnetic properties of Co-W films / V. O. Vas'kovskiy, M. N. Volochaev, A. N. Gorkovenko [et al.] // Phys. Solid State. - 2021. - Vol. 63. Is. 7. - P. 1113-1119, DOI 10.1134/S1063783421070246. - Cited References: 23. - This work was carried out with support by the Ministry of Science and Higher Education of the Russian Federation, topic no. FEUZ-2020-0051. . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
GIANT MAGNETORESISTANCE
ANISOTROPY
Кл.слова (ненормированные):
film -- doping -- substrate -- structure -- magnetic properties
Аннотация: The structure and magnetic properties of thin polycrystalline films of Co100 – xWx (0 ≤ x ≤ 30) deposited by magnetron sputtering on glass substrates are investigated including those containing buffer layers of Ta, W, and Ru. It is found that films of pure Co are non-single-phase and contain hcp and fcc crystalline modifications. Doping leads to an increase in the concentration of the fcc phase and an enhancement of the texture of the (111) type, and subsequently to the amorphization of the films. The buffer layers influence to a certain extent on the depth and concentration localization of these transformations. A characteristic feature of the magnetism of Co–W films is a significant perpendicular component in the macroscopic magnetic anisotropy, which leads to a “supercritical” magnetic state. It is shown that its source is the textured fcc phase, the crystalline anisotropy of which is enhanced as a result of doping of cobalt with tungsten.

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Публикация на русском языке Структурные особенности и магнитные свойства пленок Co–W [Текст] / В. О. Васьковский, М. Н. Волочаев, А. Н. Горьковенко [и др.] // Физ. тверд. тела. - 2021. - Т. 63 Вып. 7. - С. 915-922

Держатели документа:
Ural Fed Univ, Ekaterinburg, Russia.
Russian Acad Sci, Inst Met Phys, Ural Branch, Ekaterinburg, Russia.
Russian Acad Sci, Inst Phys, Siberian Branch, Krasnoyarsk, Russia.

Доп.точки доступа:
Vas'kovskiy, V. O.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Gorkovenko, A. N.; Kravtsov, E. A.; Lepalovskij, V. N.; Feshchenko, A. A.; Ministry of Science and Higher Education of the Russian Federation [FEUZ-2020-0051]
}
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