Библиотека института физики им. Л.В. Киренского СО РАН

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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Mikhaleva N. S., Visotin M. A., Popov Z. I., Kuzubov A. A., Fedorov A. S.
Заглавие : Ab initio and empirical modeling of lithium atoms penetration into silicon
Место публикации : Comput. Mater. Sci.: Elsevier, 2015. - Vol. 109. - P.76-83. - ISSN 0927-0256, DOI 10.1016/j.commatsci.2015.06.024
Примечания : Cited References: 69. - The authors would like to thank the Institute of Computational Modeling SB RAS, Krasnoyarsk, Information Technology Centre Novosibirsk State University, for providing access to their computational resources. The reported study was supported by RFBR, research project No. 14-02-31071, 14-02-31309, 12-02-00640, by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project No. NSh-2886.2014.2), Increase Competitiveness Program of NUST "MISiS" (No. K2-2015-033). The authors also would like to thank Prof. Stephan Irle and L.R. Moskvina for fruitful discussions and helpful ideas.
Предметные рубрики: LONG CYCLE LIFE
CORE-LEVEL SPECTROSCOPY
CARBON-COATED SILICON
AUGMENTED-WAVE METHOD
ION BATTERIES
MOLECULAR-DYNAMICS
INTERATOMIC POTENTIALS
ELECTRONIC-STRUCTURE
CRYSTALLINE SILICON
SI(100)2X1 SURFACE
Ключевые слова (''Своб.индексиров.''): li-ion batteries--silicon--surface diffusion--li diffusion--density functional theory--molecular dynamics
Аннотация: A process of lithium atoms penetration into silicon (1 0 0) subsurface layers was investigated with the help of DFT method. It was shown that, while the concentration of lithium adatoms on reconstructed (1 0 0) silicon surface is low, the bonding energy of lithium atoms in the subsurface layers is smaller than the bonding energy on the surface, so lithium atoms are unlikely to migrate into the crystal. When the (1 0 0) silicon surface is covered by 2 layers of lithium, migration into the subsurface layer becomes favorable. In addition to this, the reconstruction of the surface changes to the form with symmetric dimers as the concentration increases. Thus, all possible lithium migration paths become energy-wise equal, so the rate of lithium atom transfer into silicon crystal rises. In addition to the ab initio calculations, an ad-hoc empirical interatomic potential was developed and the kinetics of lithium diffusion into silicon were studied. It was shown that lithium penetration proceeds in a layer-by-layer way with a sharp border between undoped and lithiated silicon. This is accounted for the fact that, once a tetrahedral interstice is occupied by a lithium atom, the migration barriers between the adjacent interstices become lower and the rate of diffusion increases. © 2015 Elsevier B.V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Smolyakov D. A., Tarasov A. S., Bondarev M. A., Nikolskaya A. A., Vasiliev V. K., Volochaev M. N., Volkov N. V.
Заглавие : Admittance spectroscopy of dopants implanted in silicon and impurity state-induced AC magnetoresistance effect
Место публикации : Mater. Sci. Semicond. Process. - 2021. - Vol. 126. - Ст.105663. - ISSN 13698001 (ISSN), DOI 10.1016/j.mssp.2021.105663
Примечания : Cited References: 21. - This study was supported by the Government of the Russian Federation , Mega Grant for the Creation of Competitive World-Class Laboratories (Agreement no. 075-15-2019-1886)
Аннотация: A silicon structure doped with Ga using ion implantation has been investigated by admittance spectroscopy. It has been established that the presence of the Ga impurity, along with the B one, in the silicon structure leads to the appearance of the second peak in the temperature dependence of the real part of the impedance (admittance). Moreover, switching-on a magnetic field parallel to the sample plane shifts the singularities in the temperature curve to the high-temperature region. This results in the manifestation of both the positive and negative magnetoresistance effect upon temperature and magnetic field variation. It has been found by the standard admittance spectroscopy analysis of the impedance data that the energy structure of the investigated sample includes two interfacial energy levels ES1(0) = 42 meV and ES2(0) = 69.4 meV. As expected, these energies are consistent with the energies of B and Ga dopants. In a magnetic field, these levels increase by 3 meV for B and 2 meV for Ga, which induces the magnetoresistance effect. It has been demonstrated that the interfacial state-induced magnetoresistance effect can be tuned by ion implantation and dopant selection.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov D.G., Kitaura K., Avramov P. V., Jensen J.H.
Заглавие : Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method
Место публикации : Chem. Phys. Lett. - 2009. - Vol. 477, Is. 1-3. - P.169-175. - JUL 28. - ISSN 0009-2614, DOI 10.1016/j.cplett.2009.06.072
Примечания : Cited Reference Count: 49. - Гранты: We thank Professor M. Suenaga of Kyushu University for continuing his development of the modeling software FACIO and its FMO interface. D. G. F. and K. K. were supported by the a Grant-in- Aid for Scientific Research (JSPS, Japan) and the Next Generation SuperComputing Project, Nanoscience Program (MEXT, Japan). J.H.J. was supported by a Skou Fellowship from the Danish Research Agency (Forskningsradet for Natur og Univers).Финансирующая организация: JSPS, Japan; Next Generation SuperComputing Project; MEXT, Japan; Danish Research Agency
Предметные рубрики: DENSITY-FUNCTIONAL THEORY
GEOMETRY OPTIMIZATIONS
SEMICONDUCTOR NANOWIRES
SILICON NANOWIRES
METHOD FMO
ENERGY
SURFACES
RECONSTRUCTION
CHEMISTRY
PROTEINS
Ключевые слова (''Своб.индексиров.''): energy gradients--fragment molecular orbital methods--future applications--geometry optimization--numerical criteria--silicon nanowires--molecular modeling--molecular orbitals
Аннотация: We have developed and implemented the analytic energy gradient for the bond detachment scheme in the fragment molecular orbital method (FMO) suitable to describe solids, and applied it to the geometry optimization of a silicon nanowire at several levels of theory. In addition, we have examined in detail the effects of the particular choice of the fragmentation upon the accuracy and introduced a number of numerical criteria to characterize the errors. The established route is expected to provide guidance for future applications of FMO to surfaces, solids and nanosystems. (C) 2009 Elsevier B. V. All rights reserved.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulina N. V., Lopatin V. A., Vnukova N. G., Osipova I. V., Churilov G. N., Krtschmer W.
Заглавие : Arc synthesis of silicon-doped heterofullerenes in plasma at atmospheric pressure
Место публикации : Fullerenes Nanotubes and Carbon Nanostructures: Marcel Dekker Inc., 2007. - Т. 15, № 5. - С. 395-400. - ISSN 1536-383X, DOI 10.1080/15363830701512229. - ISSN 1536-4046(eissn)
ГРНТИ : 31
РИНЦ
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Arkhipkin V. G., Myslivets S. A.
Заглавие : Effect of electromagnetically induced transparency on the spectrum of defect modes in a one-dimensional photonic crystal
Место публикации : Quantum Electronics. - 2009. - Vol. 39, Is. 2. - P.157-162. - ISSN 1063-7818, DOI 10.1070/QE2009v039n02ABEH013813
Ключевые слова (''Своб.индексиров.''): electromagnetically induced trans- parency--photonic crystals--defect layers--defect mode--electromagnetically induced trans- parency--one dimensional photonic crystal--spatial in-homogeneity--spatial overlap--transmission spectrums--crystal atomic structure--defects--silicon on insulator technology--transparency--photonic crystals
Аннотация: We studied the transmission spectrum of a one-dimensional photonic crystal containing a defect layer in which electromagnetically induced transparency is possible. The analysis is performed taking into account the spatial inhomogeneity of interacting fields in the photonic crystal. It is found that the transmission spectrum of such a photonic crystal depends on the spatial overlap of defect modes excited by probe and control radiations. It is shown that electromagnetically induced transparency can result in a considerable narrowing of the defect mode spectrum. В© 2009 Kvantovaya Elektronika and Turpion Ltd.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Demin V. A., Sorokin P. B., Avramov P. V., Chernozatonskii L. A.
Заглавие : Atomic structure and electronic properties of beta-phase silicon nanowires
Коллективы : "Trends in Nanomechanics and Nanoengineering", workshop, Сибирский федеральный университет, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : Workshop "Trends in Nanomechanics and Nanoengineering" : book of abstracts/ предс. сем. K. S. Aleksandrov ; зам. предс. сем.: G. S. Patrin, S. G. Ovchinnikov ; чл. лок. ком.: N. N. Kosyrev, A. S. Fedorov [et al]. - 2009. - P.36
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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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P. B., Ovchinnikov S. G., Avramov P. V., Chernozatonskii L.A., Fedorov D.G.
Заглавие : Atypical quantum confinement effect in silicon nanowires
Место публикации : J. Phys. Chem. A. - WASHINGTON: AMER CHEMICAL SOC, 2008. - Vol. 112, Is. 40. - С. 9955-9964. - OCT 9. - ISSN 1089-5639, DOI 10.1021/jp805069b
Примечания : Cited Reference Count: 25. - Гранты: This work was in part partially 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) as well as by Russian Fund of Basic Researches (grant 08-02-01096) (L.A.C.). P.V.A. acknowledges the encouragement of Dr. Keiji Morokuma, Research Leader at Fukui Institute for Fundamental Chemistry. The geometry of all presented structures was visualized by ChemCraft software.SUP25/SUP L.A.C. acknowledges I. V. Stankevich for help and fruitful discussions. P.B.S. is grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for access to a cluster computer for quantum-chemical calculations.Финансирующая организация: Japan Science and Technology Agency (JST); Russian Fund of Basic Researches [08-02-01096]
Предметные рубрики: ELECTRONIC-STRUCTURE
OPTICAL-PROPERTIES
SI
DENSITY
WIRES
EXCHANGE
ATOMS
DOTS
Ключевые слова (''Своб.индексиров.''): electric wire--energy gap--gallium alloys--mathematical models--nanostructured materials--nanostructures--nanowires--quantum confinement--quantum electronics--semiconductor quantum dots--silicon--ami methods--band gaps--blue shifts--dinger equations--linear junctions--monotonic decreases--quantum confinement effects--quantum dots--semiempirical--silicon nanowires--system sizes--theoretical models--nanocrystalline silicon--nanowire--quantum dot--silicon--article--chemistry--electron--quantum theory--electrons--nanowires--quantum dots--quantum theory--silicon
Аннотация: The quantum confinement effect (QCE) of linear junctions of silicon icosahedral quantum dots (IQD) and pentagonal nanowires (PNW) was studied using DFT and semiempirical AM1 methods. The formation of complex IQD/PNW structures leads to the localization of the HOMO and LUMO on different parts of the system and to a pronounced blue shift of the band gap; the typical QCE with a monotonic decrease of the band gap upon the system size breaks down. A simple one-electron one-dimensional Schrodinger equation model is proposed for the description and explanation of the unconventional quantum confinement behavior of silicon IQD/PNW systems. On the basis of the theoretical models, the experimentally discovered deviations from the typical QCE for nanocrystalline silicon are explained.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Avramov P. V.
Заглавие : The role of interfaces in determination of electronic properties of complex silicon nanoclusters
Коллективы : "Trends in Nanomechanics and Nanoengineering", workshop, Сибирский федеральный университет, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : Workshop "Trends in Nanomechanics and Nanoengineering": book of abstracts/ предс. сем. K. S. Aleksandrov ; зам. предс. сем.: G. S. Patrin, S. G. Ovchinnikov ; чл. лок. ком.: N. N. Kosyrev, A. S. Fedorov [et al]. - 2009. - P.11
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Sorokin P. B., Fedorov A. S., Fedorov D. G., Maeda Y.
Заглавие : Band-gap unification of partially Si-substituted single-wall carbon nanotubes
Место публикации : Phys. Rev. B: AMER PHYSICAL SOC, 2006. - Vol. 74, Is. 24. - Ст.245417. - ISSN 1098-0121, DOI 10.1103/PhysRevB.74.245417
Примечания : Cited References: 72
Предметные рубрики: SILICON-CARBIDE NANOTUBES
DENSITY-FUNCTIONAL THEORY
TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
ELECTRONIC-STRUCTURE
AB-INITIO
NANORODS
EXCITATIONS
TRANSITION
NANOWIRES
Аннотация: The atomic and electronic structure of a set of pristine single wall SiC nanotubes as well as Si-substituted carbon nanotubes and a SiC sheet was studied by the local-density approximation (LDA) plane wave band structure calculations. Consecutive substitution of carbon atoms by Si leads to a gap opening in the energetic spectrum of the metallic (8,8) SWCNT with approximately quadratic dependence of the band gap upon the Si concentration. The same substitution for the semiconductor (10,0) single wall carbon nanotubes (SWCNT) results in a band gap minimum (0.27 eV) at similar to 25% of Si concentration. In the Si concentration region of 12-18 %, both types of nanotubes have less than 0.5 eV direct band gaps at the Gamma-Gamma point. The calculation of the chiral (8,2) SWSi0.15C0.85NT system gives a similar (0.6 eV) direct band gap. The regular distribution of Si atoms in the atomic lattice is by similar to 0.1 eV/atom energetically preferable in comparison with a random distribution. Time dependent density functional theory (DFT) calculations showed that the silicon substitution sufficiently increases (roughly by one order of magnitude) the total probability of optical transitions in the near infrared region, which is caused by the opening of the direct band gap in metallic SWCNTs, the unification of the nature and energy of the band gaps of all SWCNT species, the large values of Si3p parallel to r parallel to Si3s radial integrals and participation of Si3d states in chemical bonding in both valence and conductance bands.
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11.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Sorokin P.B., Avramov P.V., Demin V.A., Chernozatonskii L.A.
Заглавие : Beta-phase silicon nanowires: structure and properties
Коллективы : "Fullerenes and Atomic Clusters", Biennial International Workshop
Место публикации : 9th Biennial International Workshop "Fullerenes and Atomic Clusters" (IWFAC 2009): July 6-10, 2009, St Petersburg, Russia : abstracts. - 2009. - Ст.P4.4. - С. 99
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12.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Volkov N. V., Eremin E. V., Tarasov A. S., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Bias-current and optically driven transport properties of the hybrid Fe/SiO 2/p-Si structures
Коллективы : Moscow International Symposium on Magnetism
Место публикации : Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P.526-529. - ISBN 1012-0394, DOI 10.4028/www.scientific.net/SSP.190.526. - ISBN 9783037854365
Ключевые слова (''Своб.индексиров.''): hybrid structure--mis transition--photoelectric effect--schottky barrier--channel switching--comparative analysis--electron hole pairs--fe films--fe layer--ferromagnetic films--hybrid structure--optical effects--optical radiations--photogeneration--planar geometries--schottky barriers--semiconductor substrate--temperature variation--critical currents--interfaces (materials)--magnetic materials--photoelectricity--schottky barrier diodes--silicon--switching circuits--transport properties
Аннотация: Pronounced optical- and bias-current-sensitive features of the transport properties of a Fe/SiO 2/p-Si hybrid structure in planar geometry at temperature variation are investigated. Comparative analysis of two Fe/SiO 2/p-Si samples, one with a continuous Fe film and the other with two electrodes formed from a Fe layer and separated by a micron gap, shows that these features are due to the MIS transition with a Schottky barrier near the interface between SiO 2 and p- Si. Resistance of such a MIS transition depends exponentially on temperature and bias. In the structure with a continuous ferromagnetic film, the competition between conductivities of the MIS transition and the Fe layer results in the effect of current channel switching between the Fe layer and a semiconductor substrate. Within certain limits, this process can be controlled by a bias current and optical radiation. The mechanism of the optical effect is photogeneration of electron-hole pairs in the semiconductor substrate near its boundary with SiO 2 layer. В© (2012) Trans Tech Publications.
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13.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Volkov N. V., Tarasov A. S., Smolyakov D. A., Varnakov S. N., Ovchinnikov S. G.
Заглавие : Bias-voltage-controlled ac and dc magnetotransport phenomena in hybrid structures
Коллективы : Moscow International Symposium on Magnetism , Russian Foundation for Basic Research [14-02-00234-a, 14-02-31156], Presidium of the Russian Academy of Sciences [20.8], Ministry of Education and Science of the Russian Federation [02.G25.31.0043]
Место публикации : J. Magn. Magn. Mater./ Moscow International Symposium on Magnetism (6th ; Moscow) (29 June – 3 July 2014): Elsevier Science, 2015. - Vol. 383. - P.69-72. - ISSN 0304-8853, DOI 10.1016/j.jmmm.2014.11.014
Примечания : Cited References:15. - This study was supported by the Russian Foundation for Basic Research, Projects nos. 14-02-00234-a and 14-02-31156, the Presidium of the Russian Academy of Sciences, Program Quantum Mesoscopic and Disordered Structures, Project no. 20.8 and the Ministry of Education and Science of the Russian Federation, Project no. 02.G25.31.0043.
Предметные рубрики: SILICON
SPINTRONICS
FIELD
Ключевые слова (''Своб.индексиров.''): spintronics--hybrid structures--magnetoresistance--magnetoimpedance--photoinduced magnetoresistance
Аннотация: We report some ac and dc magnetotransport phenomena in silicon-based hybrid structures. The giant impedance change under an applied magnetic field has been experimentally found in the metal/insulator/semiconductor (MIS) diode with the Schottky barrier based on the Fe/SiO2/p-Si and Fe/SiO2/n-Si structures. The maximum effect is found to observe at temperatures of 10-30 K in the frequency range 10 Hz-1 MHz, Below 1 kHz the magnetoresistance can be controlled in a wide range by applying a bias to the device. A photoinduced dc magnetoresistance of over 104% has been found in the Fe/SiO2/p-Si back-to-back Schottky diode. The observed magnetic-field-dependent effects are caused by the interface states localized in the insula-tor/semiconductor interface. (C) 2014 Elsevier B.V. All rights reserved.
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14.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulgakov E. N., Maksimov D. N.
Заглавие : Nonlinear response from optical bound states in the continuum
Коллективы : Ministry of Education and Science of Russian Federation [N 3.1845.2017/4.6]
Место публикации : Sci Rep. - 2019. - Vol. 9. - Ст.7153. - ISSN 2045-2322, DOI 10.1038/s41598-019-43672-y
Примечания : Cited References: 48. - This work was supported by Ministry of Education and Science of Russian Federation (state contract N 3.1845.2017/4.6). We appreciate discussions with Ya Yan Lu, Lijun Yuan, Andrey M. Vyunishev, and Ivan V. Timofeev.
Предметные рубрики: WAVE-GUIDE
WAVELENGTH
RESONANCES
SILICON
LIGHT
Аннотация: We consider nonlinear effects in scattering of light by a periodic structure supporting optical bound states in the continuum. In the spectral vicinity of the bound states the scattered electromagnetic field is resonantly enhanced triggering optical bistability. Using coupled mode approach we derive a nonlinear equation for the amplitude of the resonant mode associated with the bound state. We show that such an equation for the isolated resonance can be easily solved yielding bistable solutions which are in quantitative agreement with the full-wave solutions of Maxwell's equations. The coupled mode approach allowed us to cast the the problem into the form of a driven nonlinear oscillator and analyze the onset of bistability under variation of the incident wave. The results presented drastically simplify the analysis nonlinear Maxwell's equations and, thus, can be instrumental in engineering optical response via bound states in the continuum.
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15.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Bulgakov E. N., Sadreev A. F.
Заглавие : Resonant bending of silicon nanowires by incident light
Место публикации : Opt. Lett. - 2020. - Vol. 45, Is. 19. - P.5315-5318. - ISSN 01469592 (ISSN), DOI 10.1364/OL.406109
Примечания : Cited References: 29
Аннотация: Coupling of two dielectric wires with a rectangular cross section gives rise to bonding and anti-bonding resonances. The latter is featured by extremal narrowing of the resonant width for variation of the aspect ratio of the cross section and distance between wires. A plane wave resonant to this anti-bonding resonance gives rise to unprecedent enhancement of the optical forces up to several nano Newtons per micrometer length of the wires. The forces oscillate with the angle of incidence of the plane wave but always try to repel the wires. If the wires are fixed at the ends, the light power 1.5mW/µm2 bends wires with length 50 µm by order 100 nm.
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16.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Eliseeva N. S., Krasnov P. O., Tomilin F. N., Fedorov A. S., Tolstaya A. V.
Заглавие : Calculating the energy of vacancies and adatoms in a hexagonal SiC monolayer
Место публикации : Russ. J. Phys. Chem. A: MAIK Nauka-Interperiodica / Springer, 2012. - Vol. 86, Is. 7. - P.1091-1095. - ISSN 0036-0244, DOI 10.1134/S0036024412070138
Примечания : Cited References: 21
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
ELECTRONIC-PROPERTIES
ABSORPTION-SPECTRA
Ключевые слова (''Своб.индексиров.''): silicon carbide--defects--adatoms--density functional method
Аннотация: It is noted that the development of semiconductor SiC-electronics is prevented by a low quality of grown silicon carbide single crystals. It is found that structural defects of a substrate penetrating into an epitaxial layer upon subsequent homoepitaxial growth can considerably degrade a device's characteristics. We investigate the effect of the deformation of a hexagonal SiC monolayer on vacancy stability and material properties, and study the processes of silicon and carbon adatom migration over a surface of SiC.
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17.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chernozatonskii L. A., Sorokin P. B., Fedorov A. S.
Заглавие : Energy and electronic properties of non-carbon nanotubes based on silicon dioxide
Место публикации : Phys. Solid State: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2006. - Vol. 48, Is. 10. - P2021-2027. - ISSN 1063-7834, DOI 10.1134/S1063783406100337
Примечания : Cited References: 32
Предметные рубрики: MOLECULAR-DYNAMICS
SIO2
Аннотация: The geometric, energy, and electronic characteristics of new non-carbon nanotubes based on silicon dioxide are investigated in the framework of the local electron density functional formalism. Nanotubes are classified according to the type of rolling-up of the SiO2 sheet. It is shown that, among the entire set of considered nanotubes with different symmetries, the (6, 0) nanotubes are energetically more favorable. The densities of states for nanotubes are calculated. It is established that all nanotubes are dielectrics with a wide band gap. The band gap varies over a wide range with a change in the longitudinal strain of the nanotube.
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18.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Komogortsev S. V., Patrusheva T. N., Balaev D. A., Denisova E. A., Ponomarenko I. V.
Заглавие : Cobalt ferrite nanoparticles in a mesoporous silicon dioxide matrix
Коллективы : Development of the Scientific Potential of Higher Education [RNP. 2.1.1/2584]; Krasnoyarsk Regional Science Foundation; Russian Foundation for Basic Research [r-Enisei-a 03-07-96803, 09-02-98002-r_sibir'_a]
Место публикации : Tech. Phys. Lett. - 2009. - Vol. 35, Is. 10. - P.882-884. - ISSN 1063-7850, DOI 10.1134/S1063785009100022
Примечания : Cited References: 10. - This study was supported in part by the Federal Program "Development of the Scientific Potential of Higher Education" (project no. RNP. 2.1.1/2584) and jointly by the Krasnoyarsk Regional Science Foundation and the Russian Foundation for Basic Research (project nos. r-Enisei-a 03-07-96803 and 09-02-98002-r_sibir'_a).
Предметные рубрики: MAGNETIC-PROPERTIES
NANOSIZED COFE2O4
ANISOTROPY
POWDERS
CURVES
Аннотация: We have studied magnetic nanoparticles of cobalt ferrite obtained by the extraction-pyrolysis method in a mesoporous silicon dioxide (MSM-41) molecular sieve matrix. The X-ray diffraction data show evidence for the formation of CoFe(2)O(4) particles with a coherent scattering domain size of similar to 40 nm. Measurements of the magnetization curves showed that powders consisting of these nanoparticles are magnetically hard materials with a coercive field of H (c)(4.2 K) = 9.0 kOe and H (c)(300 K) = 1.8 kOe and a reduced remanent magnetization of M (r)/M (s)(4.2 K) = 0.83 and M (r)/M (s)(300 K) = 0.49. The shape of the low-temperature (4.2 K) magnetization curves is adequately described in terms of the Stoner-Wohlfarth model for randomly oriented single-domain particles with a cubic magnetic anisotropy.
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19.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Kobyakov A. V., Yushkov V. I., Rautskii M. V., Volochaev M. N., Patrin G. S.
Заглавие : Combined method of removing the natural oxide silicon
Коллективы : Euro-Asian Symposium "Trends in MAGnetism", "Trends in MAGnetism", Euro-Asian Symposium, Институт физики им. Л.В. Киренского Сибирского отделения РАН
Место публикации : VI Euro-Asian Symposium "Trends in MAGnetism" (EASTMAG-2016): abstracts/ ed.: O. A. Maksimova, R. D. Ivantsov. - Krasnoyarsk: KIP RAS SB, 2016. - Ст.P11.3. - P.535. - ISBN 978-5-904603-06-9 (Шифр -478014040)
Ключевые слова (''Своб.индексиров.''): surface--oxides--high-frequency plasma
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20.

Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Arkhipkin V. G., Gunyakov V. A., Myslivets S. A., Zyryanov V. Ya., Shabanov V. F.
Заглавие : Defect modes in real photonic crystals
Коллективы : International Conference on Advanced Optoelectronics and Lasers
Место публикации : Proceedings of CAOL 2008: 4th International Conference on Advanced Optoelectronics and Lasers. - 2008. - 4th International Conference on Advanced Optoelectronics and Lasers, CAOL 2008 (29 September 2008 through 4 October 2008, Alushta, Crimea, ) Conference code: 74830. - С. 183-185. - ISBN 9781424419746 (ISBN), DOI 10.1109/CAOL.2008.4671857
Ключевые слова (''Своб.индексиров.''): detect mode--liquid crystal--photonic band gap--photonic crystal--defect modes--detect mode--number of layers--photonic crystal structures--crystal atomic structure--crystal structure--defects--energy gap--gallium alloys--light sources--liquid crystals--liquid lasers--optical devices--photonic band gap--silicon on insulator technology--photonic crystals
Аннотация: It is demonstrated experimentally that amplitudes of defect modes of one-dimensional photonic crystal have maximal value near edges of the photonic band gap while at the centre of the stop-band they are reduced, moreover than more number of layers in photonic crystal, the less the amplitude of defect mode at the center of the PBG. We explain such behavior of defect modes presence of losses at propagation of light in real photonic crystal structures. © 2008 IEEE.
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