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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Кузубов, Александр Александрович, Михалева Н. С., Попов, Захар Иванович, Краснов, Павел Олегович, Николаева К. М.
Заглавие : Теоретическое исследование влияния допирования поверхности Si (100) на сорбцию и диффузию лития
Место публикации : Вестник СибГАУ. - Красноярск, 2015. - Т. 16, № 3. - С. 743-749. - ISSN 1816-9724
Примечания : 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.
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Анисимов Р. И., Колмаков А. А., Темерева А. С., Шараева А. Е., Шандаров С. М., Тимофеев, Иван Владимирович, Пятнов, Максим Владимирович
Заглавие : Анализ распределения меди в кристаллах LiNBO3:Cu с поверхностным легированием
Коллективы : Международная конференция по фотонике и информационной оптике, Российская академия наук, Национальный исследовательский ядерный университет "МИФИ"
Место публикации : XI Международная конференция по фотонике и информационной оптике: сборник научных трудов. - Москва, 2022. - С. 451-452. - ISBN 978-5-7262-2842-6
Примечания : Библиогр.:
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Su, Binbin, Molokeev M. S., Xia, Zhiguo
Заглавие : Unveiling Mn2+ dopant states in two-dimensional halide perovskite toward highly efficient photoluminescence
Место публикации : J. Phys. Chem. Lett. - 2020. - Vol. 11, Is. 7. - P.2510-2517. - ISSN 1948-7185, DOI 10.1021/acs.jpclett.0c00593
Примечания : 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.
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Guo, Shaoqiang, Zhao, Jing, Molokeev M. S., Liu, Quanlin, Zhang, Junying, Xia, Zhiguo
Заглавие : Unraveling the mechanochemical synthesis and luminescence in MnII-based two-dimensional hybrid perovskite (C4H9NH3)2PbCl4
Место публикации : Sci. China Mater. - 2019. - Vol. 62, Is. 7. - P.1013-1022. - ISSN 2095-8226, DOI 10.1007/s40843-018-9404-4. - ISSN 2199-4501(eISSN)
Примечания : 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).
Предметные рубрики: DOPANT ENERGY-TRANSFER
EMISSION
EXCITON
MODEL
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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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Semenov S. V., Gokhfeld D. M., Balaev D. A., Yakimov I. S., Petrov M. I.
Заглавие : Tuning the peak effect by in Y1-xNdxBa2Cu3O7-δ compound by Nd doping
Коллективы : Moscow International Symposium on Magnetism, Московский государственный университет им. М.В. Ломоносова, Российский фонд фундаментальных исследований
Место публикации : Moscow International Symposium on Magnetism (MISM-2017): 1-7 July 2017 : book of abstracts. - 2017. - Ст.3PO-I-19. - P.576
Примечания : Библиогр.: 4
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Ren Q., Zhang J., Molokeev M. S., Zhou G., Zhang X. -M.
Заглавие : Triplet-triplet energy transfer from Bi3+to Sb3+in zero-dimensional indium hybrids via a B-site co-doping strategy toward white-light emission
Место публикации : Inorg. Chem. Front. - 2022. - Vol. 9, Is. 22. - P.5960-5968. - ISSN 20521553 (ISSN), DOI 10.1039/d2qi01631a
Примечания : 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
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Semenov A. P., Semenova I. A., Bulina N. V., Lopatin V. A., Karmanov N. S., Churilov G. N.
Заглавие : Thin fullerene-containing films synthesized by ion beam sputtering of fullerene mixtures with doping additives in vacuum
Место публикации : Tech. Phys. Lett.: AMER INST PHYSICS, 2005. - Vol. 31, Is. 12. - P1022-1025. - ISSN 1063-7850, DOI 10.1134/1.2150887
Примечания : Cited References: 11
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Ovchinnikov S. G., Yakimov L. E.
Заглавие : The role of orbital ordering in the formation of electron structure in undoped LaMnO3 manganites in the regime of strong electron correlations
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 102, Is. 6. - P972-985. - ISSN 1063-7761, DOI 10.1134/S1063776106060112
Примечания : Cited References: 25
Предметные рубрики: COLOSSAL MAGNETORESISTIVE OXIDES
DOUBLE EXCHANGE
BAND
MODEL
Ключевые слова (''Своб.индексиров.''): computational methods--correlation methods--doping (additives)--electrons--ferromagnetic materials--lanthanum compounds--paramagnetic materials--intraatomic electron correlations--mott hubbard correlation gap--orbital ordering--paramagnetic phases--electronic structure
Аннотация: The electron structure of undoped LaMnO3 and slightly doped La1-xSrxMnO3 manganites has been calculated within the framework of a generalized tight binding method with explicit allowance for strong intra-atomic electron correlations. According to the results of these calculations, the ground state in orbitally disordered undoped LaMnO3 ferromagnets would be metallic despite the Mott-Hubbard correlation gap in the spectrum of quasiparticles. Owing to the orbital ordering, the insulating state is stabilized in both antiferromagnetic and paramagnetic phases. In-gap states of a polaron nature with a spectral weight proportional to the dopant concentration have been found near the top of the valence band in La1-xSrxMnO3. As the doping level increases, a metal state appears in the ferromagnetic phase, which has a metallic character for one spin subband and an insulating character for the other subband (representing the so-called half-metallic state).
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Korshunov M. M., Zakharova E. V., Nekrasov I. A., Pchelkina Z. V., Ovchinnikov S. G.
Заглавие : The Fermi surface and the role of electronic correlations in Sm2-xCexCuO4
Коллективы :
Разночтения заглавия :авие SCOPUS: The Fermi surface and the role of electronic correlations in Sm 2-xCexCuO4
Место публикации : J. Phys.: Condens. Matter: IOP PUBLISHING LTD, 2010. - Vol. 22, Is. 1. - Ст.15701. - ISSN 0953-8984, DOI 10.1088/0953-8984/22/1/015701
Примечания : 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).
Предметные рубрики: T-C SUPERCONDUCTOR
IN-GAP STATES
SPIN CORRELATIONS
BAND
LA2-XSRXCUO4
EXCITATIONS
TRANSITION
EVOLUTION
SM2CUO4
OXIDES
Ключевые слова (''Своб.индексиров.''): 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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bi J., Wang X., Molokeev M. S., Zhu Q., Li X., Chen J., Sun X., Kim B. -N., Li J. -G.
Заглавие : The effects of Ga3+ substitution on local structure and photoluminescence of Tb3Al5O12:Ce garnet phosphor
Место публикации : Ceram. Int. - 2018. - Vol. 44, Is. 7. - С. 8684-8690. - ISSN 02728842 (ISSN), DOI 10.1016/j.ceramint.2018.02.104
Примечания : Cited References: 30
Ключевые слова (''Своб.индексиров.''): 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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11.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Zamkova N. G., Zinenko V. I.
Заглавие : The behaviour of ferroelectric instability in the ABO3 (A= Ba, Sr, Pb; B= Ti, Zr) perovskites with doping Bi+3 and La+3 ions
Коллективы : Russia/CIS/Baltic/Japan Symposium on Ferroelectricity
Место публикации : Abstracts of the 10th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity. - 2010. - P.167
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12.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zamkova N. G., Zinenko V. I.
Заглавие : The behavior of ferroelectric instability in the perovskite srtio3 with doping trivalent ions Sc3+, In3+, La3+, Bi 3+
Место публикации : Ferroelectrics. - 2011. - Т. 414, № 1. - P.105-112. - ISSN 0015-0193, DOI 10.1080/00150193.2011.577315. - ISSN 1563-5112(eissn)
ГРНТИ : 47
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Gavrichkov V. A., Ovchinnikov S. G.
Заглавие : The band structure of n-type cuprate superconductors with the T '(T) structure taking into account strong electron correlation
Разночтения заглавия :авие SCOPUS: The band structure of n-type cuprate superconductors with the T′(T) structure taking into account strong electron correlation
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2004. - Vol. 98, Is. 3. - P556-564. - ISSN 1063-7761, DOI 10.1134/1.1705708
Примечания : Cited References: 18. - This work was financially supported by the Russian Foundation for Basic Research (project no. 03-02-16124), RFFI-KKFN “Eniseœ” (project no. 02-02-97705), INTAS (project no. 01-0654), integration program of URO and Siberian Division, Russian Academy of Sciences
Предметные рубрики: QUASI-PARTICLES
COPPER OXIDES
TEMPERATURE
LA2-XSRXCUO4
ND2-XCEXCUO4
EVOLUTION
MOMENTS
Ключевые слова (''Своб.индексиров.''): dielectric properties--electric conductance--electron transitions--electronic structure--fermi level--phase diagrams--semiconductor doping--conduction bands--electron correlation--spectral density--superconducting materials
Аннотация: The spectral density, dispersion relations, and the position of the Fermi level for n-doped compositions based on NCO and LCO were calculated within the framework of the generalized tight binding method. As distinguished from LCO, the dielectric gap in NCO is nonlinear in character. We observe a virtual level both at the bottom of the conduction band and at the top of the valence band in both compounds. However, its position corresponds to the extreme bottom of the conduction band in LCO and is 0.1 - 0.2 eV above the bottom in NCO. This explains why we observe Fermi level pinning in n-LCO as the concentration of the doping component grows and reproduce its absence in NCCO at low doping values. We also found both compositions to be unstable in a narrow concentration range with respect to a nonuniform charge density distribution. The relation between the phase diagram for NCCO and the calculated electronic structure is discussed. (C) 2004 MAIK "Nauka/Interperiodica".
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhandun V. S., Zamkova N. G., Draganyuk O. N.
Заглавие : The arising of ferromagnetism in Al-doped Mn2(Ga1−xAlx)C MAX phases
Колич.характеристики :5 с
Место публикации : J. Magn. Magn. Mater. - 2024. - Vol. 601. - Ст.172193. - ISSN 03048853 (ISSN), DOI 10.1016/j.jmmm.2024.172193. - ISSN 18734766 (eISSN)
Примечания : 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
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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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Patrin G. S., Volkov N. V., Vasiliev V. N.
Заглавие : The ''easy plane easy axis'' transition in alpha-Fe2O3:Ga crystals induced by doping with terbium ions
Место публикации : Phys. Lett. A. - 1997. - Vol. 230, Is. 1-2. - P.96-98. - ISSN 0375-9601, DOI 10.1016/S0375-9601(97)00219-3
Примечания : Cited References: 10
Аннотация: In easy plane weak ferromagnetic alpha-Fe2O3:Ga crystals it was found that doping with a hundredth part of To ions leads to the restoration of the transition into the ''easy axis'' magnetic state. It was established that in the alpha-Fe2O3:Ga, Tb crystal the angular magnetic phase is realized. (C) 1997 Published by Elsevier Science B.V.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhao M., Xia Z., Molokeev M. S., Ning L., Liu Q.
Заглавие : Temperature and Eu2+-doping induced phase selection in NaAlSiO4 polymorphs and the controlled yellow/blue emission
Место публикации : Chem. Mater.: American Chemical Society, 2017. - Vol. 29, Is. 15. - P.6552-6559. - ISSN 08974756 (ISSN), DOI 10.1021/acs.chemmater.7b02548
Примечания : 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.
Ключевые слова (''Своб.индексиров.''): 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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17.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ovchinnikov S. G., Kuzmin V. I., Nikolaev S. V., Visotin M. A.
Заглавие : Temperature and doping dependent short range antifferomagnetic order and pseudogap formation in hole-doped cuprates
Коллективы : International Conference on Supercondactivity and Magnetism
Место публикации : 8th International conference on supercondactivity and magnetism (ICSM2023): abstract book. - 2023. - Ст.159. - P.248
Примечания : Cited References: 1
Материалы конференции,
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Borisov A.A., Gavrichkov V. A., Ovchinnikov S. G.
Заглавие : Temperature and concentration dependences of the electronic structure of copper oxides in the generalized tight binding method
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2003. - Vol. 97, Is. 4. - P773-780. - ISSN 1063-7761, DOI 10.1134/1.1625067
Примечания : Cited References: 25
Предметные рубрики: SUPERCONDUCTING-GAP ANISOTROPY
BAND-STRUCTURE
FERMI-SURFACE
NORMAL-STATE
BI2SR2CACU2O8+DELTA
EVOLUTION
Ключевые слова (''Своб.индексиров.''): doping (additives)--electron transitions--electronic structure--fermi level--fermi surface--electron correlations--pseudogap--tight binding method--valence band--copper oxides
Аннотация: The electronic structure of p-type doped HTSC cuprates is calculated by explicitly taking into account strong electron correlations. The smooth evolution of the electronic structure from undoped antiferromagnetic to optimally and heavily doped paramagnetic compositions is traced. For a low doping level, in-gap impurity-type states are obtained, at which the Fermi level is pinned in the low-doping region. These states are separated by a pseudogap from the valence band. The Fermi surfaces calculated for the paramagnetic phase for various concentrations of holes are in good agreement with the results of ARPES experiments and indicate a gradual change in the Fermi surface from the hole type to the electron type. (C) 2003 MAIK "Nauka/Interperiodica".
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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Stolyar S. V., Bayukov O. A., Ladygina V. P., Ischenko L. A., Iskhakov R. S.
Заглавие : Structure and magnetic properties of biogenic ferrihydrite nanoparticles doped with gadolinium
Место публикации : J. Sib. Fed. Univ. Math. Phys. - 2013. - Vol. 6, Is. 3. - P.358-365. - ISSN 1997-1397; Журн. СФУ. Сер. "Математика и физика"
Ключевые слова (''Своб.индексиров.''): 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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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Baron F. A., Mikhlin, Yurii L., Molokeev M. S., Rautskiy M. V., Tarasov I. A., Volochaev M. N., Shanidze L. V., Lukyanenko A. V., Smolyarova T. E., Konovalov, Stepan O., Zelenov, Fyodor, V, Tarasov A. S., Volkov N. V.
Заглавие : Structural, optical, and electronic properties of Cu-doped TiNxOy grown by ammonothermal atomic layer deposition
Коллективы : 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]
Место публикации : ACS Appl. Mater. Interfaces. - 2021. - Vol. 13, Is. 27. - P.32531-32541. - ISSN 1944-8244, DOI 10.1021/acsami.1c08036. - ISSN 1944-8252(eISSN)
Примечания : 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)
Предметные рубрики: OXYNITRIDE THIN-FILMS
TITANIUM-NITRIDE
CONFORMAL TIN
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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