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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Кузубов, Александр Александрович, Елисеева, Наталья Сергеевна, Попов, Захар Иванович, Федоров, Александр Семенович, Сержантова, Мария Викторовна, Денисов, Виктор Михайлович, Томилин, Феликс Николаевич
Заглавие : Теоретическое исследование сорбции и диффузии атомов лития на поверхности и внутри кристаллического кремния
Место публикации : Письма в Журн. эксперим. и теор. физ. - 2013. - Т. 97, Вып. 11. - С. 732-736. - DOI 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Михалева Н. С., Кузубов, Александр Александрович, Попов, Захар Иванович, Еремина А. Д., Высотин, Максим Александрович
Заглавие : Теоретическое исследование внедрения атомов лития в кремний
Место публикации : Вестник СибГАУ. - Красноярск: СибГАУ, 2015. - Т. 16, № 2. - С. 456-463. - ISSN 1816-9724
Примечания : Библиогр.: 55
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vasiliev A. D., Golovnev N. N.
Заглавие : Crystal structure of hexakis(thiourea)-bis((μ-perchlorato-O,O')- (perchlorato-O)-bismuth) diperchlorate
Место публикации : Russ. J. Coordin. Chem. - 2013. - Vol. 39, Is. 2. - P.161-164. - ISSN 1070-3284, DOI 10.1134/S1070328413020097
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Popov Z. I., Fedorov A. S., Serzhantova M. V., Denisov V. M., Tomilin F. N.
Заглавие : Theoretical study of sorption and diffusion of lithium atoms on the surface of crystalline silicon and inside it
Место публикации : JETP Letters. - 2013. - Vol. 97, Is. 11. - P.634-638. - ISSN 0021-3640, DOI 10.1134/S0021364013110088
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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kazak N. V., Bayukov O. A., Ovchinnikov S. G., Vasiliev A. D., Rudenko V. V., Ivanova N. B., Knyazev Yu. V., Bartolom J., Arauzo A.
Заглавие : The superexchange interactions in mixed Co-Fe ludwigite
Место публикации : J. Magn. Magn. Mater. - 2011. - Vol. 323, Is. 5. - P.521-527. - MAR. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2010.09.057
Примечания : 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
Предметные рубрики: TRANSPORT-PROPERTIES
SPECTRA
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Avramov P. V., Nikolaeva K. M., Mikhaleva N. S., Kovaleva E. A., Kuklin A. V., Fedorov A. S.
Заглавие : Study of interaction between transition metal atoms and bigraphene monovacancy by means of quantum chemistry
Место публикации : Comput. Mater. Sci.: Elsevier, 2016. - Vol. 112, Part A. - P.269-275. - ISSN 0927-0256, DOI 10.1016/j.commatsci.2015.11.002
Примечания : 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).
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
MASSLESS DIRAC FERMIONS
GRAPHENE
VACANCIES
POINTS
GAS
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Drozdova A. K., Cherepanov V. N., Svetlichny V. A., Kveglis L. I., Volochaev M. N., Velikanov D. A.
Заглавие : Structure and magnetic properties of titanium nickelide nanoparticles synthesized by pulsed laser ablation method
Коллективы : International Conference on Films and Coatings
Место публикации : J. Phys. Conf. Ser.: IOP, 2017. - Vol. 857, Is. 1. - Ст.012007. - ISSN 17426588 (ISSN), DOI 10.1088/1742-6596/857/1/012007
Примечания : Cited References: 9
Ключевые слова (''Своб.индексиров.''): 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Slabko V. V., Khachatryan G. G., Aleksandrovsky A. S.
Заглавие : Self-organized aggregation of small metal particles controlled by an external light field
Место публикации : JETP Letters. - 2006. - Vol. 84, Is. 6. - P.300-304. - ISSN 0021-3640, DOI 10.1134/S0021364006180056
Примечания : Cited References: 16
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Li, Mingze, Zhao, Jing, Molokeev M. S., Xia, Zhiguo
Заглавие : Single-Component White-Light Emission in 2D Hybrid Perovskites with Hybridized Halogen Atoms
Место публикации : Adv. Opt. Mater. - 2019. - Vol. 7, Is. 24. - Ст.1901335. - ISSN 2195-1071, DOI 10.1002/adom.201901335
Примечания : 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).
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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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kolovsky A. R.
Заглавие : Simulating cyclotron-Bloch dynamics of a charged particle in a 2D lattice by means of cold atoms in driven quasi-1D optical lattices
Место публикации : Front. Phys. - 2012. - Vol. 7, Is. 1. - P.3-7. - ISSN 2095-0462, DOI 10.1007/s11467-011-0202-3
Примечания : 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]
Предметные рубрики: MAGNETIC-FIELDS
ELECTRONS
Ключевые слова (''Своб.индексиров.''): 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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11.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Zhou, Guojun, Jia, Xiaofang, Guo, Shaoqiang, Molokeev M. S., Zhang, Junying, Xia, Zhiguo
Заглавие : Role of Halogen Atoms on High-Efficiency Mn2+ Emission in Two-Dimensional Hybrid Perovskites
Место публикации : J. Phys. Chem. Lett. - 2019. - Vol. 10, Is. 16. - P.4706-4712. - ISSN 1948-7185, DOI 10.1021/acs.jpclett.9b01996
Примечания : 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).
Предметные 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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12.

Вид документа : Статья из журнала
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Автор(ы) : Berman G. P., Bulgakov E. N., Campbell D. K., Krive I. V.
Заглавие : Quantum nonlinear resonance and quantum chaos in Aharonov-Bohm oscillations in mesoscopic semiconductor rings
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 1997. - Vol. 56, Is. 16. - P10338-10354. - ISSN 0163-1829, DOI 10.1103/PhysRevB.56.10338
Примечания : Cited References: 51
Предметные 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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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Melchakova I., Nikolaeva K. M., Kovaleva E. A., Tomilin F. N., Ovchinnikov S. G., Tchaikovskaya O. N., Avramov P. V., Kuzubov A. A.
Заглавие : Potential energy surfaces of adsorption and migration of transition metal atoms on nanoporus materials: The case of nanoporus bigraphene and G-C3N4
Место публикации : Appl. Surf. Sci. - 2021. - Vol. 540. - Ст.148223. - ISSN 01694332 (ISSN), DOI 10.1016/j.apsusc.2020.148223
Примечания : 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
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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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Krasnov P. O., Kozhevnikova T. A., Popov M. N., Artyushenko P. V.
Заглавие : Peculiarities of the decoration of carbon nanotubes with transition metal atoms
Место публикации : Russ. J. Phys. Chem. B: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 5, Is. 1. - P163-167. - ISSN 1990-7931, DOI 10.1134/S1990793111010076
Примечания : 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).
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
SURFACE
ENERGY
Ключевые слова (''Своб.индексиров.''): 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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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Moiseenko E. T., Altunin R. R., Zharkov S. M.
Заглавие : Solid-state synthesis and atomic ordering in thin Cu/Au films (Atomic Ratio, Cu : Au = 3 : 1)
Место публикации : Bull. Russ. Acad. Sci.: Phys.: Allerton Press, 2012. - Vol. 76, Is. 10. - P.1149-1151. - ISSN 1062-8738, DOI 10.3103/S1062873812100073
Ключевые слова (''Своб.индексиров.''): 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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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Malakhovskii A. V.
Заглавие : Magnetooptical activity of allowed electron transitions in atoms in free state and in crystals
Место публикации : Phys. Status Solidi B. - 1990. - Vol. 159, Is. 2. - P.883-892. - ISSN 0370-1972, DOI 10.1002/pssb.2221590236
Примечания : Cited References: 15
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Atuchin V. V., Gavrilova T. A., Kesler V. G., Molokeev M. S., Aleksandrov K. S.
Заглавие : Low-temperature synthesis and structural properties of ferroelectric K 3WO3F3 elpasolite
Место публикации : Chem. Phys. Lett. - 2010. - Vol. 493, Is. 1-3. - P.83-86. - ISSN 0009-2614, DOI 10.1016/j.cplett.2010.05.023
Примечания : Cited References: 37
Предметные рубрики: PEROVSKITE-LIKE OXYFLUORIDES
CORE-LEVEL SPECTROSCOPY
PHASE-TRANSITIONS
SOLID-STATE
ELECTRON-DIFFRACTION
DIFFUSE-SCATTERING
RHEED ANALYSIS
POLAR
BEHAVIOR
(NH4)(3)TIOF5
Ключевые слова (''Своб.индексиров.''): 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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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kudashkin K., Nikolaev S. V., Ovchinnikov S. G.
Заглавие : Spectral properties of the Bose-Hubbard model within the cluster perturbation theory in X-operators representation
Коллективы : RFBR [16-02-00098, 16-42-243048, 16-42-240511, 16-42-240769]; Government of Krasnoyarsk Territory; Russian President Grant [NSh-7559.2016.2]
Место публикации : J. Supercond. Nov. Magn.: Springer, 2017. - Vol. 30, Is. 1. - P.103-107. - ISSN 1557-1939, DOI 10.1007/s10948-016-3781-y. - ISSN 1557-1947(eISSN)
Примечания : 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.
Предметные рубрики: TRANSITION
SUPERFLUID
INSULATOR
ATOMS
Ключевые слова (''Своб.индексиров.''): 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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19.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krasnov P. O., Eliseeva N. S., Kuzubov A. A.
Заглавие : Interaction of Scandium and Titanium Atoms with a Carbon Surface Containing Five- and Seven-Membered Rings
Коллективы : Ministry of Education and Science of the Russian Federation
Место публикации : J. Exp. Theor. Phys.: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 114, Is. 1. - P.80-84. - ISSN 1063-7761, DOI 10.1134/S1063776111160059. - ISSN 1090-6509
Примечания : 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).
Предметные 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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20.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : KRASNOV I. V.
Заглавие : STRAIGHTENING EFFECT OF RADIATION POWER AND LIGHT-INDUCED PHENOMENA OF TRANSFER IN RESONANCE GASES
Место публикации : Zhurnal Eksperimentalnoi Teor. Fiz.: MEZHDUNARODNAYA KNIGA, 1995. - Vol. 107, Is. 4. - P1135-1152. - ISSN 0044-4510
Примечания : Cited References: 18
Предметные рубрики: FORCE
ATOMS
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