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1.


   
    Теоретическое исследование сорбции и диффузии атомов лития на поверхности и внутри кристаллического кремния / А. А. Кузубов [и др.] // Письма в Журн. эксперим. и теор. физ. - 2013. - Т. 97, Вып. 11. - С. 732-736DOI 10.7868/S0370274X13110064
Аннотация: В рамках теории функционала плотности изучены энергия сорбции и диффузия атомов лития по реконструированной (4× 2) поверхности (100) кремния при их переходе в подповерхностные слои, а также внутри кристаллического кремния при различной концентрации лития. Показано, что одиночные атомы лития легко мигрируют по поверхности (100), постепенно заполняя поверхностные состояния (Т3 и L), расположенные в каналах между димерами кремния. Диффузия лития в подповерхностные слои кремния затруднена в связи с высокими потенциальными барьерами перехода (1.22 эВ). Также исследованы зависимости энергии связи, потенциальных барьеров и коэффициента диффузии атомов лития внутри кремния от расстояний до ближайших атомов лития. Показано, что увеличение его концентрации до состава Li0.5Si существенно снижает энергию перехода (с 0.90 до 0.36 эВ) и вызывает значительное (на 1-3 порядка) увеличение скорости диффузии лития.

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Переводная версия Theoretical study of sorption and diffusion of lithium atoms on the surface of crystalline silicon and inside it. - [Б. м. : б. и.]

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

Доп.точки доступа:
Кузубов, Александр Александрович; Kuzubov, A. A.; Елисеева, Наталья Сергеевна; Попов, Захар Иванович; Popov, Z.I.; Федоров, Александр Семенович; Fedorov, A. S.; Сержантова, Мария Викторовна; Денисов, Виктор Михайлович; Томилин, Феликс Николаевич; Tomilin, F. N.
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2.


   
    Теоретическое исследование внедрения атомов лития в кремний / Н. С. Михалева [и др.] // Вестник СибГАУ. - 2015. - Т. 16, № 2. - С. 456-463. - Библиогр.: 55 . - ISSN 1816-9724
   Перевод заглавия: Theoretical study of lithium atoms penetration into silicon
Кл.слова (ненормированные):
ДИФФУЗИЯ -- ЛИТИЙ -- КРЕМНИЙ -- DFT -- DIFFUSION -- LITHIUM -- SILICON
Аннотация: Рассматривается процесс диффузии атомов лития в приповерхностные слои кремния (001). Расчеты выполнялись в рамках теории функционала плотности. Показано, что при малой концентрации лития на реконструированной поверхности кремния (001) энергия связи в подповерхностном слое ниже, чем на поверхности, что препятствует диффузии лития внутрь кристалла. Подобная ситуация существенно не меняется при увеличении температуры. Анализ частот перескока одиночных атомов лития с поверхности в приповерхностные слои показал, что в случае малых концентраций миграция атомарного Li будет осуществляться практически по одному пути реакции (из положения L-состояния, в котором литий находится в канале между димерами). При концентрации лития в два монослоя, наоборот, диффузия в подповерхностные слои становится более предпочтительна. Поскольку при достижении концентрации в один монослой происходит изменение симметрии димеров, диффузия лития внутрь кристалла также облегчается вследствие увеличения плотности положений в каналах между димерами. Таким образом, результат моделирования позволил объяснить причину экспериментального факта затруднения диффузии лития при прохождении через данную поверхность и определить пути возможной модификации поверхности, которая должна увеличить энергию связи атомов лития в приповерхностных состояниях при низких степенях заполнения им поверхности.
The article deals with a theoretical investigation of lithium diffusion through silicon (001) surface within density functional theory formalism. It was shown that it is more energetically favorable for dilute lithium atoms to stay atop fully-relaxed silicon (001) surface than beneath it. This fact hampers the diffusion into the silicon crystal and the situation doesn't change significantly with increase in temperature. The frequencies of lithium atom hopping from the surface to the subsurface layers of silicon crystal were estimated. The analysis of frequencies for different transition paths indicates that in the case of dilute concentration Li atoms are likely to migrate through the surface from one type of sites (site L-located in channels between silicon dimers). With increasing of lithium concentration up to 1 monolayer and further, the silicon (001) surface swaps the asymmetric dimers reconstruction model for symmetric, leading to doubling of number of the sites in between silicon dimers. After the concentration reaches 2 monolayers, the binding energy of Li atoms on the surface becomes less than binding energy beneath the surface, so the diffusion turns to be thermodynamically allowed. As a result of the investigation, the ab-initio modeling puts light on the cause of experimentally observed decelerated lithium diffusion through silicon (001) surface and delivers an opportunity to determine possible techniques for surface modification, which will increase lithium atom binding energies in sites beneath silicon surface at low lithium concentrations.

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Держатели документа:
Сибирский федеральный университет, Институт цветных металлов и материаловедения
Институт физики им. Л. В. Киренского СО РАН

Доп.точки доступа:
Михалева, Н. С.; Mikhaleva, N. S.; Кузубов, Александр Александрович; Kuzubov, A. A.; Попов, Захар Иванович; Popov, Z. I.; Еремина, А. Д.; Eremina, A. D.; Высотин, Максим Александрович; Visotin, M. A.
}
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3.


    Vasiliev, A. D.
    Crystal structure of hexakis(thiourea)-bis((μ-perchlorato-O,O')- (perchlorato-O)-bismuth) diperchlorate / A. D. Vasiliev, N. N. Golovnev // Russ. J. Coordin. Chem. - 2013. - Vol. 39, Is. 2. - P. 161-164, DOI 10.1134/S1070328413020097 . - ISSN 1070-3284
Кл.слова (ненормированные):
Crystallographic data -- Hydrogen atoms -- Hydrogen bond networks -- IR and Raman spectroscopy -- Space Groups -- Sulfur atoms -- Atoms -- Complex networks -- Hydrogen bonds -- Raman spectroscopy -- Single crystals -- X ray diffraction -- Thioureas
Аннотация: The complex[Bi2(Tu)6(ClO4) 4](ClO4)2 (I) (Tu is thiourea) was synthesized and studied by X-ray diffraction. The crystallographic data of I are: a = 14.205(1) A, b = 13.083(1) A, c = 22.078(2) A, ? = 96.182(1), V = 4079.1(7) A3, space group C2/c, Z = 4. The molecule is located on a twofold axis and consists of the binuclear cation [Bi2(Tu)6(ClO4)4]2+ and two outer-sphere anions Cl 4 -. The Bi-S bond lengths are 2.61-2.62 A. For each terminal and bridging ClO 4 - ion, one Bi-O distance varies from 2.744 to 3.048 3.269 structure contains a hydrogen bond network involving all hydrogen atoms. The IR and Raman spectroscopy data confirm the thiourea coordination by the sulfur atom. В© 2013 Pleiades Publishing, Ltd.

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Публикация на русском языке Васильев, Александр Дмитриевич. Кристаллическая структура диперхлората гексакис(тиомоче-вина)-бис((μ-перхлорато-О,О′)-(перхлрато-О)-висмута) [Текст] / А. Д. Васильев, Н. Н. Головнёв // Координ. химия. - 2013. - Т. 39 № 2. - С. 71-74

Держатели документа:
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk, Russia

Доп.точки доступа:
Golovnev, N. N.; Головнёв, Николай Николаевич; Васильев, Александр Дмитриевич
}
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4.


   
    Theoretical study of sorption and diffusion of lithium atoms on the surface of crystalline silicon and inside it / A. A. Kuzubov [et al.] // JETP Letters. - 2013. - Vol. 97, Is. 11. - P. 634-638, DOI 10.1134/S0021364013110088 . - ISSN 0021-3640
Аннотация: The energy of the sorption and diffusion of lithium atoms on the reconstructed (4 ? 2) (100) silicon surface in the process of their transport into near-surface layers, as well as inside crystalline silicon, at various lithium concentrations have been investigated within the density functional theory. It has been shown that single lithium atoms easily migrate on the (100) surface and gradually fill the surface states (T3 and L) located in channels between silicon dimers. The diffusion of lithium into near-surface silicon layers is hampered because of high potential barriers of the transition (1.22 eV). The dependences of the binding energy, potential barriers, and diffusion coefficient inside silicon on distances to the nearest lithium atoms have also been examined. It has been shown that an increase in the concentration of lithium to the Li0.5Si composition significantly reduces the transition energy (from 0.90 to 0.36 eV) and strongly increases (by one to three orders of magnitude) the lithium diffusion rate. В© 2013 Pleiades Publishing, Ltd.

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Публикация на русском языке Теоретическое исследование сорбции и диффузии атомов лития на поверхности и внутри кристаллического кремния. - [S. l. : s. n.]

Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660028, Russia
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian State Aerosp Univ, Krasnoyarsk 660014, Russia

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Popov, Z. I.; Попов, Захар Иванович; Fedorov, A. S.; Федоров, Александр Семенович; Serzhantova, M. V.; Denisov, V. M.; Tomilin, F. N.; Томилин, Феликс Николаевич
}
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5.


   
    The superexchange interactions in mixed Co-Fe ludwigite / N. V. Kazak [et al.] // J. Magn. Magn. Mater. - 2011. - Vol. 323, Is. 5. - P. 521-527, DOI 10.1016/j.jmmm.2010.09.057. - Cited Reference Count: 15. - Гранты: This study was supported by the Russian Foundation for Basic Research (Project no. 09-02-00171-a), the Federal Agency for Science and Innovation (Rosnauka) (Project no. MK-5632. 2010.2), Physical Division of the Russian Academy of Science, the program "Strongly Correlated Electrons", project 2.3.1.; The financial support of Spanish MINCYT, MAT08/1077 and Aragonese E-34 project are also acknowledged. - Финансирующая организация: Russian Foundation for Basic Research [09-02-00171-a]; Federal Agency for Science and Innovation (Rosnauka) [MK-5632. 2010.2]; Physical Division of the Russian Academy of Science; "Strongly Correlated Electrons" [2.3.1]; Spanish MINCYT [MAT08/1077]; Aragonese E-34 project . - MAR. - ISSN 0304-8853
Рубрики:
TRANSPORT-PROPERTIES
   SPECTRA

Кл.слова (ненормированные):
ludwigite structure -- magnetic susceptibility -- magnetic frustration -- mott conductivity -- ludwigite structure -- magnetic frustration -- magnetic susceptibility -- mott conductivity -- ac susceptibility -- cation distributions -- crystal data -- crystallographic sites -- electrical resistivity -- iron atoms -- low temperatures -- ludwigite structure -- magnetic behavior -- magnetic frustrations -- magnetic system -- magnetic transitions -- mossbauer -- mossbauer effects -- mott conductivity -- mott hopping -- superexchange energy -- superexchange interaction -- temperature regions -- trivalent iron -- variable range -- cobalt -- electric conductivity -- magnetic susceptibility -- magnetism -- mossbauer spectroscopy -- x ray diffraction -- crystal structure
Аннотация: The crystal structure, cation distribution and exchange interactions in the Co2.25Fe0.75O2BO3 ludwigite have been explored through X-ray diffraction, electrical resistivity, ac-susceptibility and Mossbauer effect measurements. The crystal data have shown that iron atoms occupy the most symmetric crystallographic sites Fe4 and Fe2. The complex magnetic behavior with two magnetic transitions near 70 and 115 K at low temperatures was found. The Mossbauer data have displayed the trivalent iron states only. The values of superexchange energies have been estimated for Co3O2BO3 and Co2.25Fe0.75O2BO3 yielding a significant role of frustrations in the ludwigite magnetic system. Variable range Mott hopping conductivity law was proved to be valid in the wide temperature region, pointing out a localized character of charge carriers rather than collective. (C) 2010 Elsevier B.V. All rights reserved.

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Держатели документа:
RAS, LV Kirensky Phys Inst, SB, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Krasnoyarsk State Agr Univ, Krasnoyarsk 660049, Russia
Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, Abd Dept Fis Mat Condensada, E-50009 Zaragoza, Spain
Univ Zaragoza, Area Medidas Fis, Serv Instrumentac Cient, E-50009 Zaragoza, Spain

Доп.точки доступа:
Kazak, N. V.; Казак, Наталья Валерьевна; Bayukov, O. A.; Баюков, Олег Артемьевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Vasiliev, A. D.; Васильев, Александр Дмитриевич; Rudenko, V. V.; Руденко, Валерий Васильевич; Ivanova, N. B.; Иванова, Наталья Борисовна; Knyazev, Yu. V.; Князев, Юрий Владимирович; Bartolom, J.; Arauzo, A.
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6.


   
    Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry / A. A. Kuzubov [et al.] // Comput. Mater. Sci. - 2016. - Vol. 112, Part A. - P. 269-275, DOI 10.1016/j.commatsci.2015.11.002. - Cited References: 39. - The authors would like to thank Siberian Supercomputer Center (SSCC) of SB RAS, Novosibirsk; and L.V. Kirensky Institute of Physics of SB RAS, Krasnoyarsk, for providing the access to their supercomputers. This work was supported by the government contract of the Ministry of Education and Science of the Russian Federation to Siberian Federal University (Grant No. 16.1500.2014/K). . - ISSN 0927-0256
РУБ Materials Science, Multidisciplinary
Рубрики:
INITIO MOLECULAR-DYNAMICS
   MASSLESS DIRAC FERMIONS

   GRAPHENE

   VACANCIES

   POINTS

   GAS

Кл.слова (ненормированные):
Bigraphene -- Spintronics -- Transition metal -- Adsorption -- Migration
Аннотация: First-row transition metal atoms adsorption on bigraphene monovacancy was studied within the framework of DFT in periodic boundary conditions. Electronic and magnetic properties of composites were analyzed and their potential utilization in spintronics was discussed. Barriers of metal atoms migration from bigraphene surface to the interlayer space through the vacancy were estimated in order to consider both thermodynamic and kinetic aspects of composites experimental preparation. Formation of metal atoms inner-sorbed on bigraphene was found to demand harsh synthesis conditions; whereas outer-sorbed composites demonstrate significantly higher degree of spin polarization which makes them perspective for usage in spintronic devices. © 2015 Elsevier B.V.

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Держатели документа:
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
L.V. Kirensky Institute of Physics, 50 Akademgorodok, Krasnoyarsk, Russian Federation
Kyungpook National University, 80 Daehakro, Bukgu, Daegu, South Korea

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Avramov, P. V.; Аврамов, Павел Вениаминович; Nikolaeva, K. M.; Mikhaleva, N. S.; Kovaleva, E. A.; Kuklin, A. V.; Куклин, Артем Валентинович; Fedorov, A. S.; Федоров, Александр Семенович
}
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7.


   
    Structure and magnetic properties of titanium nickelide nanoparticles synthesized by pulsed laser ablation method / A. K. Drozdova [et al.] // J. Phys. Conf. Ser. - 2017. - Vol. 857, Is. 1. - Ст. 012007, DOI 10.1088/1742-6596/857/1/012007. - Cited References: 9 . - ISSN 1742-6588
   Перевод заглавия: Структура и магнитные свойства наночастиц никелида титана, синтезированных методом импульсной лазерной абляции
Кл.слова (ненормированные):
Ablation -- Coatings -- High resolution transmission electron microscopy -- Laser ablation -- Nanomagnetics -- Nanoparticles -- Synthesis (chemical) -- Titanium -- Transmission electron microscopy -- Equiatomic composition -- Magnetization values -- Ti atoms -- Titanium nickelide -- Pulsed lasers
Аннотация: We have successfully synthesized magnetic titanium nickelide nanoparticles with equiatomic composition by pulsed laser ablation method. Using transmission electron microscopy and microanalysis was revealed that particles represent the homogeneous conglomerates containing identical amount of Ni and Ti atoms. The magnetization value of nanoparticles was estimated.

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Доп.точки доступа:
Drozdova, A. K.; Cherepanov, V. N.; Svetlichny, V. A.; Kveglis, L. I.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Velikanov, D. A.; Великанов, Дмитрий Анатольевич; International Conference on Films and Coatings(13 ; 18-20 April 2017 ; St. Petersburg)
}
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8.


    Slabko, V. V.
    Self-organized aggregation of small metal particles controlled by an external light field / V. V. Slabko, G. G. Khachatryan, A. S. Aleksandrovsky // JETP Letters. - 2006. - Vol. 84, Is. 6. - P. 300-304, DOI 10.1134/S0021364006180056. - Cited References: 16 . - ISSN 0021-3640
РУБ Physics, Multidisciplinary
Рубрики:
CLUSTERS
   ATOMS

Аннотация: Using simplest two- and three-particle models, it is shown that there exists a possibility of controlled aggregation of silver nanoparticles in an external light field. The aggregation occurs as a result of the dipole-dipole interaction of particles, whose energy has a minimum at a certain particle configuration and at corresponding frequency and polarization of the field.

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Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Krasnoyarsk State Tech Univ, Krasnoyarsk 660074, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Krasnoyarsk State Technical University, Krasnoyarsk, 660074, Russian Federation

Доп.точки доступа:
Khachatryan, G. G.; Aleksandrovsky, A. S.; Александровский, Александр Сергеевич; Слабко, Виталий Васильевич
}
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9.


   
    Single-Component White-Light Emission in 2D Hybrid Perovskites with Hybridized Halogen Atoms / G. Zhou [et al.] // Adv. Opt. Mater. - 2019. - Vol. 7, Is. 24. - Ст. 1901335, DOI 10.1002/adom.201901335. - Cited References: 35. - G.J.Z. and M.Z.L. contributed equally to this work. The present work was supported by the National Natural Science Foundations of China (Grant Nos. 51722202 and 51972118), the Fundamental Research Funds for the Central Universities (D2190980), and the Guangdong Provincial Science & Technology Project (No. 2018A050506004). . - ISSN 2195-1071
   Перевод заглавия: Однокомпонентное вещество, излучающее белый свет, из ряда двумерных гибридных перовскитов с гибридизованными атомами галогенов
Кл.слова (ненормированные):
2D halide perovskites -- photoluminescence -- white-light emission
Аннотация: With single-component photoinduced white-light (WL) emission, low-dimensional hybrid halide perovskites have emerged as a new generation of luminescent materials; however, the effect of halogens on the intrinsic light emissions and the corresponding mechanisms is still unknown. Herein, the investigation of a family of two-dimensional (2D) hybrid perovskites R2PbBr4−xClx (R = BA+, PMA+, PEA+; x = 0, 1, 2, 3, 4) highlights the influence of halogens on intrinsic emission to reveal the dependence of the photoluminescence on the nature and contribution of the halogens. Ultrabroad emissions covering the entire visible‐light region are achieved in the halogen hybrid systems with the stoichiometry of R2PbBr2Cl2 (R = BA+, PMA+, PEA+), showing their potential as single‐component WL phosphors in solid‐state lighting devices. The origin of the WL emissions is the synergistic recombination emission of free excitons and self‐trapped excitons. The ratio of halogens (Br/Cl) is confirmed to be a critical factor to fine‐tune the intrinsic emission properties. This work provides a feasible strategy to achieve single‐component WL emission in 2D hybrid perovskites, and proposes a method for regulating halogen contents for optimizing luminescent properties.

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Держатели документа:
The Beijing Municipal Key Laboratory of New Energy Materials and Technologies School of Materials Sciences and Engineering University of Science and Technology Beijing, Beijing 100083, P. R. China
Laboratory of Crystal Physics Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk 660036, Russia
Department of Engineering Physics and Radioelectronics Siberian Federal University, Krasnoyarsk 660041, Russia
Department of Physics Far Eastern State Transport University, Khabarovsk 680021, Russia
State Key Laboratory of Luminescent Materials and Devices and Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied Techniques South China University of Technology, Guangzhou 510641, P. R. China

Доп.точки доступа:
Zhou, Guojun; Li, Mingze; Zhao, Jing; Molokeev, M. S.; Молокеев, Максим Сергеевич; Xia, Zhiguo
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10.


   
    Simulating cyclotron-Bloch dynamics of a charged particle in a 2D lattice by means of cold atoms in driven quasi-1D optical lattices / A. R. Kolovsky // Front. Phys. - 2012. - Vol. 7, Is. 1. - P. 3-7, DOI 10.1007/s11467-011-0202-3. - Cited Reference Count: 11. - Гранты: This work was partially supported by Russian Foundation for Basic Research, grant RFBR-10-02-00171-a. - Финансирующая организация: Russian Foundation for Basic Research [RFBR-10-02-00171-a] . - ISSN 2095-0462
Рубрики:
MAGNETIC-FIELDS
   ELECTRONS

Кл.слова (ненормированные):
optical lattice -- bloch dynamics -- cyclotron oscillations -- cold atoms -- bloch dynamics -- cold atoms -- cyclotron oscillations -- optical lattice
Аннотация: Quantum dynamics of a charged particle in a two-dimensional (2D) lattice subject to magnetic and electric fields is a rather complicated interplay between cyclotron oscillations (the case of vanishing electric field) and Bloch oscillations (zero magnetic field), details of which has not yet been completely understood. In the present work we suggest to study this problem by using cold atoms in optical lattices. We introduce a one-dimensional (1D) model which can be easily realized in laboratory experiments with quasi-1D optical lattices and show that this model captures many features of the cyclotron-Bloch dynamics of the quantum particle in 2D square lattices.

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Inst Engn Phys, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Kolovsky, A. R.; Коловский, Андрей Радиевич
}
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11.


   
    Role of Halogen Atoms on High-Efficiency Mn2+ Emission in Two-Dimensional Hybrid Perovskites / G. J. Zhou [et al.] // J. Phys. Chem. Lett. - 2019. - Vol. 10, Is. 16. - P. 4706-4712, DOI 10.1021/acs.jpclett.9b01996. - Cited References: 37. - This work is supported by the National Natural Science Foundation of China (No. 51722202 and 51572023), the Natural Science Foundations of Beijing (2172036), the Fundamental Research Funds for the Central Universities (FRF-TP-18-002C1), and the Guangdong Provincial Science & Technology Project (No. 2018A050506004). . - ISSN 1948-7185
   Перевод заглавия: Роль атомов галогенов в высокоэффективном излучении Mn2 + в двумерном гибридном перовските
РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary + Physics, Atomic, Molecular & Chemical
Рубрики:
ENERGY-TRANSFER
   LIGHT-EMISSION

   DOPING MN2+

   LEAD-FREE

   NANOCRYSTALS

Аннотация: Doped halide pervoskites as highly efficient light emitters have recently fascinated the research community, while the influence of halogen atoms X (X = Cl, Br, I) on the hybrid energy levels and photoluminescence properties remains a challenge. Here, the role of X compositions in the two-dimensional hybrid perovskite BA2PbX4 (BA = C4H9NH3) on the doped Mn2+ emission is identified, wherein Mn2+ reveals a strong luminescence dependence on the nature of the halogen, and optimum Mn2+ emission with a record quantum yield of 60.1% has been achieved in BA2PbBr4. Density functional theory calculations show that BA2PbBr4 holds low Br vacancy concentration and unique coupled states of the Mn-3d level and Pb-6p level at the conduction band minimum, leading to efficient energy transfer from the host to Mn2+. Our work sheds new light on the methods to realize strong exciton–dopant exchange coupling for achieving high-efficiency dopant luminescence.

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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, Sch Phys, Minist Educ, Key Lab Micronano Measurement Manipulat & Phys, Beijing 100191, Peoples R China.
RAS, Fed Res Ctr KSC SB, 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.
South China Univ Technol, State Key Lab Luminescent Mat & Devices, Guangzhou 510641, Guangdong, Peoples R China.
South China Univ Technol, Inst Opt Commun Mat, Guangzhou 510641, Guangdong, Peoples R China.

Доп.точки доступа:
Zhou, Guojun; Jia, Xiaofang; Guo, Shaoqiang; Molokeev, M. S.; Молокеев, Максим Сергеевич; Zhang, Junying; Xia, Zhiguo
}
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12.


   
    Quantum nonlinear resonance and quantum chaos in Aharonov-Bohm oscillations in mesoscopic semiconductor rings / G. P. Berman [et al.] // Phys. Rev. B. - 1997. - Vol. 56, Is. 16. - P. 10338-10354, DOI 10.1103/PhysRevB.56.10338. - Cited References: 51 . - ISSN 0163-1829
РУБ Physics, Condensed Matter
Рубрики:
EXCITED HYDROGEN-ATOMS
   FREQUENCY ELECTROMAGNETIC-FIELD

   PERSISTENT CURRENTS

   NORMAL-METAL

   ENERGY SPACE

   LOCALIZATION

   TRANSPORT

   LOOP

   TIME

   TRANSMISSION

Аннотация: We consider Aharonov-Bohm oscillations in a mesoscopic semiconductor ring threaded by both a constant magnetic flux and a time-dependent, resonant magnetic field with one or two frequencies. Working in the ballistic regime, we establish that the theory of ''quantum nonlinear resonance'' applies, and thus that this system represents a possible solid-state realization of ''quantum nonlinear resonance'' and ''quantum chaos.'' In particular, we investigate the behavior of the time-averaged electron energy at zero temperature in the regimes of (i) an isolated quantum nonlinear resonance and (ii) the transition to quantum chaos, when two quantum nonlinear resonances overlap. The time-averaged energy exhibits sharp resonant behavior as a function of the applied constant magnetic flux, and has a staircase dependence on the amplitude of the external time-dependent field. In the chaotic regime, the resonant behavior exhibits complex structure as a function of flux and frequency. We compare and contrast the quantum chaos expected in these mesoscopic ''solid-state atoms'' with that observed in Rydberg atoms in microwave fields, and discuss the prospects for experimental observation of the effects we predict.

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Держатели документа:
LOS ALAMOS NATL LAB,CTR NONLINEAR STUDIES,LOS ALAMOS,NM 87545
LV KIRENSKII INST PHYS,KRASNOYARSK 660036,RUSSIA
UNIV ILLINOIS,DEPT PHYS,URBANA,IL 61801
UKRAINIAN ACAD SCI,INST LOW TEMP PHYS & ENGN,UA-310164 KHARKOV,UKRAINE
ИФ СО РАН

Доп.точки доступа:
Berman, G. P.; Bulgakov, E. N.; Булгаков, Евгений Николаевич; Campbell, D. K.; Krive, I. V.
}
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13.


   
    Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4 / I. Melchakova, K. M. Nikolaeva, E. A. Kovaleva [et al.] // Appl. Surf. Sci. - 2021. - Vol. 540. - Ст. 148223, DOI 10.1016/j.apsusc.2020.148223. - Cited References: 39. - The authors would like to thank Joint Supercomputer Center of RAS, Moscow; Center of Equipment for Joint Use of Siberian Federal University, Krasnoyarsk; and Information Technology Centre, Novosibirsk State University for providing the access to their supercomputers. Publication was supported by Project FSWM-2020-0033 of Russian Ministry of Science and Education . - ISSN 0169-4332
   Перевод заглавия: Поверхностная потенциальная энергия адсорбции и миграции атомов переходных металлов на нанопористых материалах: случай нанопористого биграфена и G-C3N4
Кл.слова (ненормированные):
Bigraphene -- g-C3N4 -- Transition metal -- Adsorption -- Migration
Аннотация: First-row transition metal (TM) atoms adsorption and migration on nanoporus 2D materials like bigraphene with double vacancies and g-C3N4 as the active sites for TM nanocluster's growth was studied within the framework of density functional theory. Both thermodynamic and kinetic aspects of composite synthesis were discussed. It was found that potential barriers of adatom's migration from bigraphene's outer surface to the interlayer space through the double vacancy are rather low values. High potential barriers of TM migration along the carbon plane prevents TM clusterization due to enhanced chemical activity of double vacancies which gives a possibility to capture the surface adatoms. As was shown for the monolayer graphene, the decrease of vacancies concentration reduces the barrier of adatom migration along the surface while the second graphene sheet in bigraphene stabilizes the structure. The behavior of TM-atom regarding g-CN2 and g-CN1 nanosheets was investigated. Potential energy surfaces were obtained and discussed. The migration barriers were found surmountable that means high probability of migration of TM adatoms to global minima and formation of TM vacancies. Comparison of barriers values with Boltzmann factor demonstrated that just standalone temperature fluctuations cannot initiate structural transitions. The properties of designed structures can be of interest of catalysts and biosensors for biomedical applications.

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Держатели документа:
Kyungpook National University, 80 Daehakro, Bukgu, Daegu, 41566, South Korea
Siberian Federal University, 79 Svobodny Pr., Krasnoyarsk, 660041, Russian Federation
Tomsk State University, 36 Lenin Ave., Tomsk, 634050, Russian Federation
Kirensky Institute of Physics, FRC KSC SB RAS, 50 Akademgorodok, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Melchakova, I.; Nikolaeva, K. M.; Kovaleva, E. A.; Tomilin, F. N.; Томилин, Феликс Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Tchaikovskaya, O. N.; Avramov, P. V.; Kuzubov, A. A.
}
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14.


   
    Peculiarities of the decoration of carbon nanotubes with transition metal atoms / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. B. - 2011. - Vol. 5, Is. 1. - P. 163-167, DOI 10.1134/S1990793111010076. - Cited References: 12. - The authors thank Interdepartmental Supercomputer Center, Russian Academy of Sciences, for the possibility of using a cluster computer, and Siberian Federal University for providing a supercomputer, on which quantum-chemical calculations were performed. This work was financially supported by the Analytic Departmental Special-Purpose Program "The Development of the Scientific Potential of the Higher School (2009-2010)" (project no. 2.1.1/2584). . - ISSN 1990-7931
РУБ Physics, Atomic, Molecular & Chemical
Рубрики:
INITIO MOLECULAR-DYNAMICS
   SURFACE

   ENERGY

Кл.слова (ненормированные):
carbon nanotubes -- decoration -- transition metal atoms -- Carbon nanotubes -- Decoration -- Transition metal atoms
Аннотация: Carbon nanotubes decorated with transition metal, in particular, scandium, titanium, and vanadium, atoms offer promise for use in various applied science fields. We report the results of quantum-chemical calculations of the structure of the metallic layer of atoms of these metals coating the surface of (9, 0) and (10, 0) carbon nanotubes. It was shown that uniform one-layer coating by scandium and titanium could form on nanotubes with diameters no less than the diameter of (10, 0) nanotubes. Vanadium atoms could not uniformly cover nanotubes irrespective of their diameters.

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Держатели документа:
[Kuzubov, A. A.
Kozhevnikova, T. A.
Artyushenko, P. V.] Siberian Fed Univ, Krasnoyarsk, Russia
[Kuzubov, A. A.
Krasnov, P. O.
Popov, M. N.] Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Kuzubov, A. A.
Krasnov, P. O.] Siberian State Technol Univ, Krasnoyarsk, Russia
ИФ СО РАН
Siberian Federal University, Krasnoyarsk, Russian Federation
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Siberian State Technological University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Krasnov, P. O.; Краснов, Павел Олегович; Kozhevnikova, T. A.; Popov, M. N.; Artyushenko, P. V.
}
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15.


    Moiseenko, E. T.
    Solid-state synthesis and atomic ordering in thin Cu/Au films (Atomic Ratio, Cu : Au = 3 : 1) / E. T. Moiseenko, R. R. Altunin, S. M. Zharkov // Bull. Russ. Acad. Sci.: Phys. - 2012. - Vol. 76, Is. 10. - P. 1149-1151, DOI 10.3103/S1062873812100073 . - ISSN 1062-8738
Кл.слова (ненормированные):
Atomic ordering -- Atomic ratio -- Bi-layer -- In-situ transmission -- Nano films -- Solid-state synthesis -- Space Groups -- Atoms -- Gold -- In situ processing -- Transmission electron microscopy -- Copper
Аннотация: In situ transmission electron microscopy investigations of the processes of solid-state synthesis and atomic ordering in bilayer Cu/Au nanofilms (atomic ratio, Cu : Au = 3 : 1) are conducted. It is found that solid-state synthesis starts at 170В°C. A Cu 3Au atomic-disordered structure (Fm3m space group; lattice con- stant, a = 3.76 В± 0.01 A) forms at 280В°C. Annealing the film for 1 hour at 380В°C produced a Cu 3AuI (L1 2 type) atomic-ordered superstructure, a Pm-3m space group, and lattice constant, a = 3.76 В± 0.01 a in the bulk of the film.

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Публикация на русском языке Моисеенко, Евгений Тимофеевич. Твердофазный синтез и атомное упорядочение в тонкопленочной системе Cu/Au (атомное соотношение Cu : Au = 3 : 1) [Текст] / Е. Т. Моисеенко, Р. Р. Алтунин, С. М. Жарков // Изв. РАН. Сер. физич. - 2012. - Т. 76 № 10. - С. 1279-1282

Держатели документа:
L.V. Kirensky Institute of Physics, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Altunin, R. R.; Алтунин, Роман Русланович; Zharkov, S. M.; Жарков, Сергей Михайлович; Моисеенко, Евгений Тимофеевич
}
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16.


    Malakhovskii, A. V.
    Magnetooptical activity of allowed electron transitions in atoms in free state and in crystals / A. V. Malakhovskii // Phys. Status Solidi B. - 1990. - Vol. 159, Is. 2. - P. 883-892, DOI 10.1002/pssb.2221590236. - Cited References: 15 . - ISSN 0370-1972
РУБ Physics, Condensed Matter


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Доп.точки доступа:
Малаховский, Александр Валентинович
}
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17.


   
    Low-temperature synthesis and structural properties of ferroelectric K 3WO3F3 elpasolite / V. V. Atuchin [et al.] // Chem. Phys. Lett. - 2010. - Vol. 493, Is. 1-3. - P. 83-86, DOI 10.1016/j.cplett.2010.05.023. - Cited References: 37 . - ISSN 0009-2614
Рубрики:
PEROVSKITE-LIKE OXYFLUORIDES
   CORE-LEVEL SPECTROSCOPY

   PHASE-TRANSITIONS

   SOLID-STATE

   ELECTRON-DIFFRACTION

   DIFFUSE-SCATTERING

   RHEED ANALYSIS

   POLAR

   BEHAVIOR

   (NH4)(3)TIOF5

Кл.слова (ненормированные):
Chemical synthesis -- Elpasolite -- Ferroelectric phase transition -- Fluorine atoms -- Low temperature synthesis -- Low temperatures -- Oxyfluorides -- Partial ordering -- Room temperature -- SEM -- Space Groups -- Structure parameter -- XRD -- Chemical properties -- Ferroelectric materials -- Ferroelectricity -- Fluorine -- Oxygen -- Phase transitions -- Rietveld method -- Single crystals -- Synthesis (chemical) -- X ray photoelectron spectroscopy -- X ray powder diffraction -- Scanning electron microscopy
Аннотация: Low-temperature ferroelectric G2 polymorph of K3WO 3F3 has been prepared by chemical synthesis. Structural and chemical properties of the final product have been evaluated with X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Structure parameters of G2-K 3WO3F3 are refined by the Rietveld method from XRD data measured at room temperature (space group Cm, Z = 2, a = 8.7350(3), b = 8.6808(5), c = 6.1581(3), ? = 135.124(3), V = 329.46(3) 3; RB = 2.47%). Partial ordering of oxygen and fluorine atoms has been found over anion positions. Mechanism of ferroelectric phase transition in A2BMO3F3 oxyfluorides is discussed. В© 2010 Elsevier B.V. All rights reserved.

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Держатели документа:
Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Nanolithography and Nanodiagnostics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Physical Principles for Integrated Microelectronics, Institute of Semiconductor Physics, SB RAS, Novosibirsk 630090, Russian Federation
Laboratory of Crystal Physics, Institute of Physics, SB RAS, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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18.


    Kudashkin, K.
    Spectral properties of the Bose-Hubbard model within the cluster perturbation theory in X-operators representation / K. Kudashkin, S. Nikolaev, S. Ovchinnikov // J. Supercond. Nov. Magn. - 2017. - Vol. 30, Is. 1. - P. 103-107, DOI 10.1007/s10948-016-3781-y. - Cited References:16. - This work was supported by RFBR grant 16-02-00098, Government of Krasnoyarsk Territory and RFBR according to the research projects 16-42-243048, 16-42-240511, and 16-42-240769, and the Russian President Grant NSh-7559.2016.2. . - ISSN 1557-1939. - ISSN 1557-1947
РУБ Physics, Applied + Physics, Condensed Matter
Рубрики:
TRANSITION
   SUPERFLUID

   INSULATOR

   ATOMS

Кл.слова (ненормированные):
Bose-Hubbard model -- Ultracold gases -- Cluster perturbation theory -- Density of states -- Spectral properties
Аннотация: We study the two-dimensional ultracold Bose gas in optical lattice. We use cluster perturbation theory based on Hubbard X-operators to calculate the spectral function and phase diagram of Bose-Hubbard model which is minimal model to describe behavior of ultracold gases in optical lattices. We have analyzed spectral properties of spinless bosons in a square lattice taking into account the short-range correlation.

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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Nikolaev, S. V.; Николаев, Сергей Викторович; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; RFBR [16-02-00098, 16-42-243048, 16-42-240511, 16-42-240769]; Government of Krasnoyarsk Territory; Russian President Grant [NSh-7559.2016.2]
}
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19.


    Krasnov, P. O.
    Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings / P. O. Krasnov, N. S. Eliseeva, A. A. Kuzubov // J. Exp. Theor. Phys. - 2012. - Vol. 114, Is. 1. - P. 80-84, DOI 10.1134/S1063776111160059. - Cited References: 25. - We are grateful to the Joint Supercomputer Center, Russian Academy of Sciences, for the possibility of using the computer cluster for our quantum-chemical calculations. This work was supported by the Ministry of Education and Science of the Russian Federation (federal program "Human Capital for Science and Education in Innovative Russia" for 2009-2013). . - ISSN 1063-7761. - ISSN 1090-6509
РУБ Physics, Multidisciplinary
Рубрики:
MOLECULAR-HYDROGEN COMPLEXES
   STORAGE

   NANOTUBES

   TRANSITION

   ENERGY

   TEMPERATURE

   EXCHANGE

   DYNAMICS

   METALS

   C60

Аннотация: The use of carbon nanotubes coated by atoms of transition metals to store molecular hydrogen is associated with the problem of the aggregation of these atoms, which leads to the formation of metal clusters. The quantum-chemical simulation of cluster models of the carbon surface of a graphene type with scandium and titanium atoms has been performed. It has been shown that the presence of five- and seven-membered rings, in addition to six-membered rings, in these structures makes it possible to strongly suppress the processes of the migration of metal atoms over the surface, preventing their clustering.

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Публикация на русском языке Краснов, Павел Олегович. Взаимодействие атомов скандия и титана с углеродной поверхностью, содержащей пятичленные и семичленные кольца [Текст] / П. О. Краснов, Н. С. Елисеева, А. А. Кузубов // Журн. эксперим. и теор. физ. : Наука, 2012. - Т. 141 Вып. 1. - С. 90-95

Держатели документа:
[Krasnov, P. O.
Kuzubov, A. A.] Siberian State Technol Univ, Krasnoyarsk 660049, Russia
[Krasnov, P. O.
Kuzubov, A. A.] Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia
[Eliseeva, N. S.
Kuzubov, A. A.] Siberian Fed Univ, Krasnoyarsk 660041, Russia

Доп.точки доступа:
Eliseeva, N. S.; Kuzubov, A. A.; Кузубов, Александр Александрович; Краснов, Павел Олегович; Ministry of Education and Science of the Russian Federation
}
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20.


    KRASNOV, I. V.
    STRAIGHTENING EFFECT OF RADIATION POWER AND LIGHT-INDUCED PHENOMENA OF TRANSFER IN RESONANCE GASES / I. V. KRASNOV // Zhurnal Eksperimentalnoi Teor. Fiz. - 1995. - Vol. 107, Is. 4. - P. 1135-1152. - Cited References: 18 . - ISSN 0044-4510
РУБ Physics, Multidisciplinary
Рубрики:
FORCE
   ATOMS


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