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1.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov A. S., Tarasov I. A., Yakovlev I. A., Rautskii M. V., Bondarev I. A., Lukyanenko A. V., Platunov M. S., Volochaev M. N., Efimov, Dmitriy D., Goikhman, Aleksandr Yu., Belyaev B. A., Baron F. A., Shanidze, Lev V., Farle M., Varnakov S. N., Ovchinnikov S. G., Volkov N. V.
Заглавие : Asymmetric interfaces in epitaxial off-stoichiometric Fe3+xSi1-x/Ge/Fe3+xSi1-x hybrid structures: Effect on magnetic and electric transport properties
Коллективы : RFBRRussian Foundation for Basic Research (RFBR); Krasnoyarsk Regional Fund of Science [20-42-243007, 20-42-240012]; Government of the Russian Federation [075-15-2019-1886]; Ministry of Science and Higher Education of the Russian Federation [FZWN-2020-0008]
Место публикации : Nanomaterials. - 2022. - Vol. 12, Is. 1. - Ст.131. - ISSN 2079-4991(eISSN), DOI 10.3390/nano12010131
Примечания : Cited References: 61. - The research was funded by RFBR, Krasnoyarsk Territory, and Krasnoyarsk Regional Fund of Science, project number 20-42-243007, and by the Government of the Russian Federation, Mega Grant for the Creation of Competitive World-Class Laboratories (Agreement no. 075-15-2019-1886). I.A.T. and S.N.V. thank RFBR, Krasnoyarsk Territory, and Krasnoyarsk Regional Fund of Science, project number 20-42-240012, for partial work related to the development of the simulation model of the pore autocorrelated radial distribution function coupled with the near coincidence site model, the Fe3+xSi1-x lattice distortion analysis, and processing Rutherford backscattering spectroscopy data. The Rutherford backscattering spectroscopy measurements were supported by the Ministry of Science and Higher Education of the Russian Federation (project FZWN-2020-0008)
Предметные рубрики: FILMS
ANISOTROPY
SI(001)
DEVICES
SURFACE
GROWTH
Аннотация: Three-layer iron-rich Fe3+xSi1-x/Ge/Fe3+xSi1-x (0.2 x 0.64) heterostructures on a Si(111) surface with Ge thicknesses of 4 nm and 7 nm were grown by molecular beam epitaxy. Systematic studies of the structural and morphological properties of the synthesized samples have shown that an increase in the Ge thickness causes a prolonged atomic diffusion through the interfaces, which significantly increases the lattice misfits in the Ge/Fe3+xSi1-x heterosystem due to the incorporation of Ge atoms into the Fe3+xSi1-x bottom layer. The resultant lowering of the total free energy caused by the development of the surface roughness results in a transition from an epitaxial to a polycrystalline growth of the upper Fe3+xSi1-x. The average lattice distortion and residual stress of the upper Fe3+xSi1-x were determined by electron diffraction and theoretical calculations to be equivalent to 0.2 GPa for the upper epitaxial layer with a volume misfit of -0.63% compared with a undistorted counterpart. The volume misfit follows the resultant interatomic misfit of |0.42|% with the bottom Ge layer, independently determined by atomic force microscopy. The variation in structural order and morphology significantly changes the magnetic properties of the upper Fe3+xSi1-x layer and leads to a subtle effect on the transport properties of the Ge layer. Both hysteresis loops and FMR spectra differ for the structures with 4 nm and 7 nm Ge layers. The FMR spectra exhibit two distinct absorption lines corresponding to two layers of ferromagnetic Fe3+xSi1-x films. At the same time, a third FMR line appears in the sample with the thicker Ge. The angular dependences of the resonance field of the FMR spectra measured in the plane of the film have a pronounced easy-axis type anisotropy, as well as an anisotropy corresponding to the cubic crystal symmetry of Fe3+xSi1-x, which implies the epitaxial orientation relationship of Fe3+xSi1-x (111)[0-11] || Ge(111)[1-10] || Fe3+xSi1-x (111)[0-11] || Si(111)[1-10]. Calculated from ferromagnetic resonance (FMR) data saturation magnetization exceeds 1000 kA/m. The temperature dependence of the electrical resistivity of a Ge layer with thicknesses of 4 nm and 7 nm is of semiconducting type, which is, however, determined by different transport mechanisms.
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2.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Minami S., Morokuma K., Irle S., Chernozatonskii L.A.
Заглавие : Atomic Structure and Energetic Stability of Complex Chiral Silicon Nanowires
Место публикации : J. Phys. Chem. C. - 2010. - Vol. 114, Is. 35. - P.14692-14696. - SEP 9. - ISSN 1932-7447, DOI 10.1021/jp1016399
Примечания : Cited Reference Count: 36. - Гранты: This work was supported by a CREST (Core Research for Evolutional Science and Technology) grant in the Area of High Performance Computing for Multiscale and Multiphysics Phenomena from the Japan Science and Technology Agency (JST) and a collaborative RFBR-JSPS grant No. 09-02-92107-Phi. S.I. also acknowledges support by the Program for Improvement of Research Environment for Young Researchers from Special Coordination Funds for Promoting Science and Technology (SCF) commissioned by the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan. L.Ch. acknowledges support by the Presidium of Russian Academy of Sciences (Program No. 27).Финансирующая организация: CREST (Core Research for Evolutional Science and Technology); Japan Science and Technology Agency (JST); RFBR-JSPS [09-02-92107]; Special Coordination Funds for Promoting Science and Technology (SCF); Presidium of Russian Academy of Sciences [27]
Предметные рубрики: DENSITY-FUNCTIONAL METHODS
GROWTH
EXCHANGE
NANOHELICES
NANOSPRINGS
Ключевые слова (''Своб.индексиров.''): ab initio--atomic structure--chiral complexes--consecutive shifts--dft method--energetic stability--homo-lumo gaps--metastable structures--potential barriers--si atoms--silicon nanowires--unit cell parameters--atoms--chirality--electronic structure--enantiomers--metastable phases--nanowires--stereochemistry--wire--crystal atomic structure
Аннотация: Atomic and electronic structure and energetic stability of newly proposed pentagonal and hexagonal chiral complex silicon nanowires (NWs) composed of five or six (I 10) oriented crystalline fragments were studied using the ab initio DFT method. The chirality of the wires was caused by consecutive shifts of each fragment by 1/5 or 1/6 of the wire unit cell parameter and rotations of 4 degrees and 3.3 degrees for achiral pentagonal or hexagonal wires, respectively. Chirality causes the HOMO-LUMO gap to reduce by 0.1 eV. Chiral silicon nanowires are found to be metastable structures with a 4,5 (kcal/mol)/Si atom potential barrier for reversible chiral achiral transformation.
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3.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shi P. L., Xia, Zhiguo, Molokeev M. S., Atuchin V. V.
Заглавие : Crystal chemistry and luminescence properties of red-emitting CsGd1−xEux(MoO4)2 solid-solution phosphors
Место публикации : Dalton Trans.: Royal Society of Chemistry, 2014. - Vol. 43, Is. 25. - P.9669-9676. - ISSN 1477-9226, DOI 10.1039/C4DT00339J. - ISSN 1477-9234
Примечания : Cited References: 46. - The present work was supported by the National Natural Science Foundations of China (grant no. 51002146, 51272242), Natural Science Foundations of Beijing (2132050), the Program for New Century Excellent Talents in University of Ministry of Education of China (NCET-12-0950), Beijing Nova Program (Z131103000413047), Beijing Youth Excellent Talent Program (YETP0635), the Fundamental Research Funds for the Central Universities (2-9-2014-044), and the Funds of the State Key Laboratory of New Ceramics and Fine Processing, Tsinghua University (KF201306). V. V. A. gratefully acknowledges the Ministry of Education and Science of the Russian Federation for the financial support.
Предметные рубрики: WHITE-LIGHT
VIBRATIONAL PROPERTIES
HYDROTHERMAL SYNTHESIS
SINGLE-CRYSTALS
DIODES
EFFICIENCY
PHOTOLUMINESCENCE
CSGD(MOO4)2
MORPHOLOGY
GROWTH
Аннотация: Scheelite related alkali-metal rare-earth double molybdate compounds with a general formula of ALn(MoO4)2 can find wide application as red phosphors. The crystal chemistry and luminescence properties of red-emitting CsGd1−xEux(MoO4)2 solid-solution phosphors have been evaluated in the present paper. A detailed analysis of the structural properties indicates the formation of isostructural scheelite-type CsGd1−xEux(MoO4)2 solid-solutions over the composition range of 0 ≤ x ≤ 1. The photoluminescence emission (PL) and excitation (PLE) spectra, and the decay curves were measured for this series of compounds. The critical doping concentration of Eu3+ is determined to be x = 0.6 in order to realize the maximum emission intensity. The emission spectra of the as-obtained CsGd(1−x)Eux(MoO4)2 phosphors show narrow high intensity red lines at 592 and 615 nm upon excitation at 394 or 465 nm, revealing great potential for applications in white light-emitting diode devices.
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4.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Shanidze L. V., Tarasov A. S., Rautskiy M. V., Zelenov F. V., Konovalov S. O., Nemtsev I. V., Voloshin A. S., Tarasov I. A., Baron F. A., Volkov N. V.
Заглавие : Cu-doped TiNxOy thin film resistors DC/RF performance and reliability
Коллективы : RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science [20-42-240013]; Government of the Russian Federation for Creation ofWorld Tier Laboratories [075-15-2019-1886]
Место публикации : Appl. Sci. - 2021. - Vol. 11, Is. 16. - Ст.7498. - ISSN 2076-3417(eISSN), DOI 10.3390/app11167498
Примечания : Cited References: 13. - This research was funded by RFBR, Krasnoyarsk Territory and Krasnoyarsk Regional Fund of Science, project code 20-42-240013 and by Grant of the Government of the Russian Federation for Creation ofWorld Tier Laboratories (contract No. 075-15-2019-1886)
Предметные рубрики: GROWTH
Аннотация: We fabricated Cu-doped TiNxOy thin film resistors by using atomic layer deposition, optical lithography, dry etching, Ti/Cu/Ti/Au e-beam evaporation and lift-off processes. The results of the measurements of the resistance temperature dependence, non-linearity, S-parameters at 0.01–26 GHz and details of the breakdown mechanism under high-voltage stress are reported. The devices’ sheet resistance is 220 ± 8 Ω/□ (480 ± 20 µΩ*cm); intrinsic resistance temperature coefficient (TCR) is ~400 ppm/°C in the T-range of 10–300 K; and S-parameters versus frequency are flat up to 2 GHz with maximum variation of 10% at 26 GHz. The resistors can sustain power and current densities up to ~5 kW*cm−2 and ~2 MA*cm−2, above which they switch to high-resistance state with the sheet resistance equal to ~200 kΩ/□ (~0.4 Ω*cm) caused by nitrogen and copper desorption from TiNxOy film. The Cu/Ti/TiNxOy contact is prone to ageing due to gradual titanium oxidation while the TiNxOy resistor body is stable. The resistors have strong potential for applications in high-frequency integrated and hybrid circuits that require small-footprint, medium-range resistors of 0.05–10 kΩ, with small TCR and high-power handling capability.
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5.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P. B., Avramov P. V., Kvashnin A. G., Kvashnin D. G., Ovchinnikov S. G., Fedorov A. S.
Заглавие : Density functional study of 110 -oriented thin silicon nanowires
Разночтения заглавия :авие SCOPUS: Density functional study of 110 -oriented thin silicon nanowires
Место публикации : Phys. Rev. B: AMER PHYSICAL SOC, 2008. - Vol. 77, Is. 23. - Ст.235417. - ISSN 1098-0121, DOI 10.1103/PhysRevB.77.235417
Примечания : Cited References: 38
Предметные рубрики: ELECTRONIC-PROPERTIES
MOLECULAR-DYNAMICS
BUILDING-BLOCKS
QUANTUM WIRES
GROWTH
Аннотация: The electronic band structure and energetic stability of two types of 110 oriented silicon nanowires terminated by hydrogen atoms are studied using the density functional theory. The nanowires truncated from the bulk silicon with [100] and [111] facets and the pentagonal star-shaped nanowires with [111] facets have the lowest cohesive energies, whereas the hexagonal star-shaped ones are the highest in energy. The star-shaped nanowires have the lowest band gaps with direct and indirect transitions for pentagonal and hexagonal types, respectively. Based on the theoretical results, an interpretation of existing experimental data has been provided.
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6.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Tarasov I. A., Rautskii M. V., Yakovlev I. A., Volochaev M. N.
Заглавие : Effect of epitaxial alignment on electron transport from quasi-two-dimensional iron silicide α-FeSi2 nanocrystals into p-Si(001)
Коллективы : International Symposium on Nanostructures - Physics and Technology , Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243060, 16-42-243035]; Russian Foundation for Basic Research, Government of the Republic of Khakassia [17-42-190308]
Место публикации : Semiconductors. - 2018. - Vol. 52: 25th International Symposium on Nanostructures - Physics and Technology (Jun 26-30, 2017, Saint Petersburg, Russia), Is. 5. - P.654-659. - ISSN 1063-7826, DOI 10.1134/S1063782618050330. - ISSN 1090-6479(eISSN)
Примечания : Cited References:31. - The work was supported by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research projects no. 16-42-243060 and 16-42-243035 and Russian Foundation for Basic Research, Government of the Republic of Khakassia, research project no. 17-42-190308. We also thank L.A. Solovyov for his assistance in XRD analysis.
Предметные рубрики: BETA-FESI2 THIN-FILMS
LOW-TEMPERATURE
GROWTH
FESI2
SI(100)
SI(111)
Аннотация: Self-assembled growth of α-FeSi2 nanocrystal ensembles on gold-activated and gold-free Si(001) surface by molecular beam epitaxy is reported. The microstructure and basic orientation relationship (OR) between the silicide nanocrystals and silicon substrate were analysed. The study reveals that utilisation of the gold as catalyst regulates the preferable OR of the nanocrystals with silicon and their habitus. It is shown that electron transport from α-FeSi2 phase into p-Si(001) can be tuned by the formation of (001)-or (111)-textured α-FeSi2 nanocrystals ensembles. A current-voltage characteristic of the structures with different preferable epitaxial alignment (α-FeSi2(001)/Si(100) and α-FeSi2(111)/Si(100)) shows good linearity at room temperature. However, it becomes non-linear at different temperatures for different ORs due to different Schottky barrier height governed by a particular epitaxial alignment of the α-FeSi2/p-Si interfaces.
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7.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Altunin R. R., Moiseenko E. T., Zharkov S. M.
Заглавие : Effect of the structural properties on the electrical resistivity of the Al/Ag thin films during the solid-state reaction
Коллективы : Russian Science FoundationRussian Science Foundation (RSF) [18-13-00080]
Место публикации : Phys. Solid State. - 2020. - Vol. 62, Is. 4. - P.708-713. - ISSN 1063-7834, DOI 10.1134/S1063783420040034. - ISSN 1090-6460(eISSN)
Примечания : Cited References: 43. - This study was supported by the Russian Science Foundation, project no. 18-13-00080.
Предметные рубрики: LIGHT-EMITTING-DIODES
PHASE-FORMATION
AG
AL
DIFFUSION
SUPPRESSION
INTERFACE
SURFACE
GROWTH
HEAT
Аннотация: Based on the results of in situ electron diffraction study of the solid-state reaction and electrical resistivity measurements on the Al/Ag thin films with an atomic ratio of Al : Ag = 1 : 3, the temperature of the reaction onset has been established and a model of the structural phase transitions has been proposed. The solid-state reaction begins at 70°C with the formation of the Al–Ag solid solution at the interface between the aluminum and silver nanolayers. It has been found that, in the course of the reaction, the intermetallic compounds γ-Ag2Al → μ-Ag3Al are successively formed. It is shown that the possibility of the formation of the μ‑Ag3Al phase during the solid-state reaction in the Al/Ag thin films depends on the aluminum-to-silver ratio, while the formation of the μ-Ag3Al phase begins only after all fcc aluminum has reacted.
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8.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Vorotynov A. M., Petrakovskii G. A., Shiyan Ya. G., Bezmaternykh L. N., Temerov V. E., Bovina A. F., Aleshkevych P.
Заглавие : Electron paramagnetic resonance of Mn2+ ions in single crystals of yttrium aluminum borate YAl3(BO3)4
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2007. - Vol. 49, Is. 3. - P463-466. - ISSN 1063-7834, DOI 10.1134/S1063783407030122
Примечания : Cited References: 11
Предметные рубрики: HUNTITE STRUCTURE
GROWTH
LASER
Аннотация: Single crystals of yttrium aluminum borate YAl3 (BO3)(4) doped with manganese ions are studied using electron paramagnetic resonance spectroscopy. It is shown that manganese ions introduced at low concentrations into the sample predominantly occupy yttrium ion sites in the crystal structure. The shape of the electron paramagnetic resonance spectrum unambiguously indicates that the valence of manganese ions in this case is equal to 2+. The parameters of the spin Hamiltonian of Mn2+, ions in the YAl3(BO3)(4) matrix are determined at room temperature. The magnitude and sign of the fine structure parameter D allow the conclusion that the YAl3(BO3)(4) single crystals doped with manganese ions have a strong crystal field at the yttrium ion sites and L easy-axis anisotropy.
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9.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Krylova S. N., Gudim I. A., Aleksandrovsky A. S., Vtyurin A. N., Krylov A. S.
Заглавие : Electronic band structures of NdFe3(BO3)4 and NdGa3(BO3)4 crystals: ab initio calculations
Коллективы : Russian Foundation for Basic Research GrantRussian Foundation for Basic Research (RFBR) [20-42-240009]
Место публикации : Ferroelectrics. - 2021. - Vol. 575, Is. 1. - P.11-17. - ISSN 0015-0193, DOI 10.1080/00150193.2021.1888219. - ISSN 1563-5112(eISSN)
Примечания : Cited References: 27. - This work was supported by the Russian Foundation for Basic Research Grant No. 20-42-240009
Предметные рубрики: HOFE3(BO3)4
TEMPERATURE
SPECTRA
GROWTH
Аннотация: NdFe3(BO3)4 and NdGa3(BO3)4 crystals are of great interest due to their physical properties. For example, NdFe3(BO3)4 crystal demonstrates magnetodielectric and magnetopiezoelectric effects, and NdGa3(BO3)4 crystal possesses luminescent and nonlinear optical properties. In this work, the properties of these materials are calculated by the plane-wave pseudo-potential method based on density functional theory. The structures of the crystals are optimized. The electronic structure of NdFe3(BO3)4 and NdGa3(BO3)4 are calculated.
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Churilov G. N., Fedorov A. S., Novikov P. V.
Заглавие : Fullerene C-60 formation in partially ionized carbon vapor
Разночтения заглавия :авие SCOPUS: Fullerene C60 formation in partially ionized carbon vapor
Место публикации : JETP Letters. - 2002. - Vol. 76, Is. 8. - P.522-526. - ISSN 0021-3640, DOI 10.1134/1.1533779
Примечания : Cited References: 15
Предметные рубрики: TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
CLUSTERS
GROWTH
Аннотация: The assembling rate of a fullerene C-60 molecule has been theoretically studied as a function of electron concentration and temperature in partially ionized carbon vapor. For C-60 formation via one or two intermediate stages of cluster collisions, it has been shown that there is a region of plasma parameters (the temperature and electron concentration) in which fullerene C-60 is formed more efficiently. The C-60 formation rate versus temperature and electron concentration relationships have been found to correlate with the trends in the collision cross-section of carbon clusters as functions of these parameters. (C) 2002 MAIK "Nauka/Interperiodica".
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