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Ab initio and empirical modeling of lithium atoms penetration into silicon / N. S. Mikhaleva [et al.] // Comput. Mater. Sci. - 2015. - Vol. 109. - P. 76-83, DOI 10.1016/j.commatsci.2015.06.024. - 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. . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
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
Кл.слова (ненормированные):
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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Держатели документа:
L.V. Kirensky Institute of Physics SB RAS, 50 bld. 38 Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, Russian Federation

Доп.точки доступа:
Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович
}
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Admittance spectroscopy of dopants implanted in silicon and impurity state-induced AC magnetoresistance effect / D. A. Smolyakov, A. S. Tarasov, M. A. Bondarev [et al.] // Mater. Sci. Semicond. Process. - 2021. - Vol. 126. - Ст. 105663, DOI 10.1016/j.mssp.2021.105663. - 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) . - ISSN 1369-8001
Кл.слова (ненормированные):
Semiconductors -- Magnetoimpedance -- Impurities -- Implantation
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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Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences660036, Russian Federation
Lobachevsky State University, Nizhny Novgorod603950, Russian Federation

Доп.точки доступа:
Smolyakov, D. A.; Смоляков, Дмитрий Александрович; Tarasov, A. S.; Тарасов, Антон Сергеевич; Bondarev, M. A.; Бондарев, Михаил Александрович; Nikolskaya, A. A.; Vasiliev, V. K.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Volkov, N. V.; Волков, Никита Валентинович
}
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Shevtsov, D. V.
An ultrahigh-vacuum multifunctional apparatus for synthesis and in situ investigation of low-dimensional structures by spectral magnetoellipsometry in the temperature range of 85–900 K / D. V. Shevtsov, S. A. Lyaschenko, S. N. Varnakov // Instrum. Exp. Tech. - 2017. - Vol. 60, Is. 5. - P. 759-763, DOI 10.1134/S0020441217050086. - Cited References: 19. - This study was supported by a Grant of the President of the Russian Federation for Support of Leading Schools (project no. NSh-7559.2016.2), by the Russian Foundation for Basic Research, the Government of Krasnoyarsk krai, and the Krasnoyarsk krai foundation for support of scientific and research and technical activity as a part of the scientific project no. 16-42-243058. . - ISSN 0020-4412
Кл.слова (ненормированные):
Semiconducting silicon -- Temperature distribution -- Ultrahigh vacuum -- Ellipsometric measurements -- In-situ investigations -- Low dimensional structure -- Metallic nanostructure -- Multifunctional apparatus -- Optical and magneto-optical properties -- Temperature dependence -- Temperature range -- Optical properties
Аннотация: This paper presents the results of modernizing an ultrahigh-vacuum multifunctional apparatus that allows one to obtain semiconductor or metallic nanostructures in a single technological cycle and to investigate their optical and magneto-optical properties in a temperature range of 85–900 K. The capabilities of the developed system were demonstrated based on the example of studying the temperature dependence of the bulk Si permittivity via spectral ellipsometric measurements. © 2017, Pleiades Publishing, Inc.

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Публикация на русском языке Шевцов, Дмитрий Валентинович. Сверхвысоковакуумная многофункциональная установка для синтеза низкоразмерных структур и их in situ исследований методом спектральной магнитоэллипсометрии в температурном диапазоне 85-900 K [Текст] / Д. В. Шевцов, С. А. Лященко, С. Н. Варнаков // Приборы и техн. эксперим. : Наука, 2017. - № 5. - С. 146-150

Держатели документа:
Kirenskiy Institute of Physics, Federal Research Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russian Federation
Reshetnev Siberial State Aerospace University, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Lyashchenko, S. A.; Лященко, Сергей Александрович; Varnakov, S. N.; Варнаков, Сергей Николаевич; Шевцов, Дмитрий Валентинович
}
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    Analytic gradient for the adaptive frozen orbital bond detachment in the fragment molecular orbital method / D. G. Fedorov [et al.] // Chem. Phys. Lett. - 2009. - Vol. 477, Is. 1-3. - P. 169-175, DOI 10.1016/j.cplett.2009.06.072. - 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 . - JUL 28. - ISSN 0009-2614
Рубрики:
DENSITY-FUNCTIONAL THEORY
   GEOMETRY OPTIMIZATIONS
   SEMICONDUCTOR NANOWIRES
   SILICON NANOWIRES
   METHOD FMO
   ENERGY
   SURFACES
   RECONSTRUCTION
   CHEMISTRY
   PROTEINS
Кл.слова (ненормированные):
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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Держатели документа:
Natl Inst Adv Ind Sci & Technol, RICS, Tsukuba, Ibaraki 3058568, Japan
SB RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark
Kyoto Univ, Grad Sch Pharmaceut Sci, Sakyo Ku, Kyoto 6068501, Japan

Доп.точки доступа:
Fedorov, D.G.; Kitaura, K.; Avramov, P. V.; Аврамов, Павел Вениаминович; Jensen, J.H.
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Arc synthesis of silicon-doped heterofullerenes in plasma at atmospheric pressure / N. V. Bulina [et al.] // Fullerenes Nanotubes and Carbon Nanostructures. - 2007. - Т. 15, № 5. - С. 395-400, DOI 10.1080/15363830701512229 . - ISSN 1536-383X. - ISSN 1536-4046

ГРНТИ

РИНЦ
Держатели документа:
Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences
Max-Planck-Institut fur Kernphysik
Доп.точки доступа:
Bulina, N. V.; Булина, Наталья Васильевна; Lopatin, V. A.; Лопатин, Владислав Александрович; Vnukova, N. G.; Внукова, Наталья Григорьевна; Osipova, I. V.; Осипова, Ирина Владимировна; Churilov, G. N.; Чурилов, Григорий Николаевич; Krtschmer, W.
}
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    Lundin, A. A.
    Asymptotic similarity of time correlation functions and shape of the 13C and 29Si NMR spectra in diamond and silicon / A. A. Lundin, V. E. Zobov // J. Exp. Theor. Phys. - 2018. - Vol. 127, Is. 2. - P. 305-315, DOI 10.1134/S1063776118080216. - Cited References: 47. - We thank V.A. Atsarkin, V.V. Demidov, F.S. Dzheparov, and E. B. Feldman for the discussion of our results. This work was supported by a subsidy allocated by the Institute of Chemical Physics of the Russian Academy of Science for the State assignment, theme 0082-2018-0005, code TSITIS AAAA-A18-118020690203. . - ISSN 1063-7761. - ISSN 1090-6509
Рубрики:
SPIN SYSTEMS
   LINE-SHAPES
   RELAXATION
   SOLIDS
   PARAMAGNETS
   RESONANCE
Аннотация: Based on the proposed theory, we have investigated the shape of the NMR absorption spectra for 13C and 29Si nuclei in diamond and silicon crystals attributable to the internuclear dipole–dipole interaction. In accordance with the available experimental data, we have considered both crystals with a 100% content of magnetoactive isotopes and crystals with a comparatively low dilution by nonmagnetic nuclei. The time correlation functions (the first of which is the Fourier transform of the NMR spectrum) arising in an infinite chain of coupled differential equations are shown to be mutually similar with a slight time delay. The proposed theory allows the spectrum to be calculated analytically. The results obtained agree satisfactorily with the experimental ones. It is noted that the mutual similarity of the time correlation functions is probably a corollary of the development of dynamical chaos in the system.

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Публикация на русском языке Лундин, Андрей Арнольдович. Асимптотическое подобие временных корреляционных функций и форма спектров ЯМР 13C и 29Si в алмазе и кремнии [Текст] / А. А. Лундин, В. Е. Зобов // Журн. эксперим. и теор. физ. - 2018. - Т. 154 Вып. 2. - С. 354–367

Держатели документа:
Russian Acad Sci, Semenov Inst Chem Phys, Vorobevskoe Sh 26, Moscow 117977, Russia.
Russian Acad Sci, Kirensky Inst Phys, Fed Res Ctr, Krasnoyarsk Sci Ctr,Siberian Branch, Akademgorodok 50, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Zobov, V. E.; Зобов, Владимир Евгеньевич; Institute of Chemical Physics of the Russian Academy of Science [0082-2018-0005, TSITIS AAAA-A18-118020690203]
}
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Atomic structure and electronic properties of beta-phase silicon nanowires / V. A. Demin [et al.] // 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

Материалы семинара

Доп.точки доступа:
Aleksandrov, K. S. \предс. сем.\; Александров, Кирилл Сергеевич; Patrin, G. S. \зам. предс. сем.\; Патрин, Геннадий Семёнович; Ovchinnikov, S. G. \зам. предс. сем.\; Овчинников, Сергей Геннадьевич; Kosyrev, N. N. \чл. лок. ком.\; Косырев, Николай Николаевич; Fedorov, A. S. \чл. лок. ком.\; Федоров, Александр Семенович; Demin, V. A.; Sorokin, P. B.; Avramov, P. V.; Аврамов, Павел Вениаминович; Chernozatonskii, L. A.; "Trends in Nanomechanics and Nanoengineering", workshop(2009 ; Aug. ; 24-28 ; Krasnoyarsk); Сибирский федеральный университет; Институт физики им. Л.В. Киренского Сибирского отделения РАН
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    Atomic Structure and Energetic Stability of Complex Chiral Silicon Nanowires / P. V. Avramov [et al.] // J. Phys. Chem. C. - 2010. - Vol. 114, Is. 35. - P. 14692-14696, DOI 10.1021/jp1016399. - 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] . - SEP 9. - ISSN 1932-7447
Рубрики:
DENSITY-FUNCTIONAL METHODS
   GROWTH
   EXCHANGE
   NANOHELICES
   NANOSPRINGS
Кл.слова (ненормированные):
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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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
Russian Acad Sci, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Sakyo Ku, Kyoto 6068103, Japan
Nagoya Univ, Inst Adv Res, Nagoya, Aichi 4648602, Japan
Nagoya Univ, Dept Chem, Nagoya, Aichi 4648602, Japan
Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Minami, S.; Morokuma, K.; Irle, S.; Chernozatonskii, L.A.
}
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    Atypical quantum confinement effect in silicon nanowires / P. B. Sorokin [et al.] // J. Phys. Chem. A. - 2008. - Vol. 112, Is. 40. - P9955-9964, DOI 10.1021/jp805069b. - 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] . - OCT 9. - ISSN 1089-5639
Рубрики:
ELECTRONIC-STRUCTURE
   OPTICAL-PROPERTIES
   SI
   DENSITY
   WIRES
   EXCHANGE
   ATOMS
   DOTS
Кл.слова (ненормированные):
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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Держатели документа:
Siberian Fed Univ, Krasnoyarsk 660041, Russia
LV Kirenskii Inst Phys, SB RAS, Krasnoyarsk 660036, Russia
RAS, N M Emanuel Inst Biochem Phys, Moscow 119334, Russia
Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan
Natl Inst Adv Ind Sci & Technol, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan

Доп.точки доступа:
Sorokin, P. B.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Avramov, P. V.; Chernozatonskii, L.A.; Fedorov, D.G.
}
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10.

Band-gap unification of partially Si-substituted single-wall carbon nanotubes / P. V. Avramov [et al.] // Phys. Rev. B. - 2006. - Vol. 74, Is. 24. - Ст. 245417, DOI 10.1103/PhysRevB.74.245417. - Cited References: 72 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
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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Держатели документа:
Japan Atom Energy Res Inst, Adv Sci Res Ctr, Takasaki Branch, Takasaki, Gumma 3701292, Japan
RAS, SB, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
RAS, Inst Biochem Phys, Moscow 119991, Russia
AIST, Res Inst Computat Sci, Tsukuba, Ibaraki 3058568, Japan
Kyoto Univ, Dept Energy Sci & Technol, Sakyo Ku, Kyoto 6068501, Japan
ИФ СО РАН
Takasaki-branch, Advanced Science Research Center, Japan Atomic Energy Agency, Takasaki, 370-1292, Japan
L.V. Kirensky Institute of Physics SB RAS, 660036 Krasnoyarsk, Russian Federation
Institute of Biochemical Physics of RAS, 119991 Moscow, Russian Federation
Research Institute for Computational Science, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba, 305-8568, Japan
Department of Energy Science and Technology, Kyoto University, Sakyo-ku, Kyoto 606-8501, Japan

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Sorokin, P. B.; Fedorov, A. S.; Федоров, Александр Семенович; Fedorov, D. G.; Maeda, Y.
}
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11.

Beta-phase silicon nanowires: structure and properties [Text] / P. B. Sorokin, P. V. Avramov [et al.] // 9th Biennial International Workshop "Fullerenes and Atomic Clusters" (IWFAC 2009) : July 6-10, 2009, St Petersburg, Russia : abstracts. - 2009. - Ст. P4.4. - P99

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Доп.точки доступа:
Sorokin, P.B.; Avramov, P.V.; Demin, V.A.; Chernozatonskii, L.A.; "Fullerenes and Atomic Clusters", Biennial International Workshop(9 ; 2009 ; JUL)
}
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12.

Bias-current and optically driven transport properties of the hybrid Fe/SiO 2/p-Si structures / N. V. Volkov [et al.] // Diffusion and Defect Data Pt.B: Solid State Phenomena. - 2012. - Vol. 190. - P. 526-529, DOI 10.4028/www.scientific.net/SSP.190.526 . - ISBN 1012-0394. - ISBN 9783037854365
Кл.слова (ненормированные):
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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Доп.точки доступа:
Volkov, N. V.; Волков, Никита Валентинович; Eremin, E. V.; Еремин, Евгений Владимирович; Tarasov, A. S.; Тарасов, Антон Сергеевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Moscow International Symposium on Magnetism(5 ; 2011 ; Aug. ; 21-25 ; Moscow)
}
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13.

    Bias-voltage-controlled ac and dc magnetotransport phenomena in hybrid structures / N. V. Volkov [et al.] // J. Magn. Magn. Mater. - 2015. - Vol. 383. - P. 69-72, DOI 10.1016/j.jmmm.2014.11.014. - 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. . - ISSN 0304-8853
   Перевод заглавия: Контролируемые напряжением смещения магнитотранспортные явления, наблюдаемые на постоянном и переменном токе в гибридных структурах

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
SILICON
SPINTRONICS
FIELD
Кл.слова (ненормированные):
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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Доп.точки доступа:
Volkov, N. V.; Волков, Никита Валентинович; Tarasov, A. S.; Тарасов, Антон Сергеевич; Smolyakov, D. A.; Смоляков, Дмитрий Александрович; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; 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]; Moscow International Symposium on Magnetism(6 ; 2014 ; June-July ; Moscow)
}
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14.

Calculating the energy of vacancies and adatoms in a hexagonal SiC monolayer / A. A. Kuzubov [et al.] // Russ. J. Phys. Chem. A. - 2012. - Vol. 86, Is. 7. - P. 1091-1095, DOI 10.1134/S0036024412070138. - Cited References: 21 . - ISSN 0036-0244

РУБ Chemistry, Physical
Рубрики:
INITIO MOLECULAR-DYNAMICS
ELECTRONIC-PROPERTIES
ABSORPTION-SPECTRA
Кл.слова (ненормированные):
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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Публикация на русском языке Расчет энергии вакансий и адатомов в монослое гексагонального SiC [Текст] / А. А. Кузубов [и др.] // Журн. физ. химии. - 2012. - Т. 86 № 7. - С. 1207-1211

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

Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Krasnov, P. O.; Краснов, Павел Олегович; Tomilin, F. N.; Томилин, Феликс Николаевич; Fedorov, A. S.; Федоров, Александр Семенович; Tolstaya, A. V.
}
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15.

Cobalt ferrite nanoparticles in a mesoporous silicon dioxide matrix / S. V. Komogortsev [et al.] // Tech. Phys. Lett. - 2009. - Vol. 35, Is. 10. - P. 882-884, DOI 10.1134/S1063785009100022. - 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). . - ISSN 1063-7850

РУБ Physics, Applied
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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Держатели документа:
[Komogortsev, S. V.] Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660041, Russia
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia
Siberian State Technol Univ, Krasnoyarsk 660049, Russia
ИФ СО РАН
ИХХТ СО РАН
Kirenskii Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk 660041, Russian Federation
Institute of Chemistry and Chemical Technology, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk 660036, Russian Federation
Siberian State Technological University, Krasnoyarsk 660049, Russian Federation

Доп.точки доступа:
Komogortsev, S. V.; Комогорцев, Сергей Викторович; Patrusheva, T. N.; Патрушева, Тамара Николаевна; Balaev, D. A.; Балаев, Дмитрий Александрович; Denisova, E. A.; Денисова, Елена Александровна; Ponomarenko, I. V.; 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]
}
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16.

Combined method of removing the natural oxide silicon / A. V. Kobyakov [et al.] // 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
Кл.слова (ненормированные):
surface -- oxides -- high-frequency plasma

Доп.точки доступа:
Kobyakov, A. V.; Кобяков, Александр Васильевич; Yushkov, V. I.; Юшков, Василий Иванович; Rautskii, M. V.; Рауцкий, Михаил Владимирович; Volochaev, M. N.; Волочаев, Михаил Николаевич; Patrin, G. S.; Патрин, Геннадий Семёнович; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН

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17.

Defect modes in real photonic crystals / V. G. Arkhipkin [et al.] // 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. - P183-185, DOI 10.1109/CAOL.2008.4671857 . - ISBN 9781424419746 (ISBN)
Кл.слова (ненормированные):
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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Держатели документа:
L.V. Kirensky Institute of Physics, Krasnoyarsk Scientific Center, SB RAS
Siberian Federal University, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Arkhipkin, V. G.; Архипкин, Василий Григорьевич; Gunyakov, V. A.; Гуняков, Владимир Алексеевич; Myslivets, S. A.; Мысливец, Сергей Александрович; Zyryanov, V. Ya.; Зырянов, Виктор Яковлевич; Shabanov, V. F.; Шабанов, Василий Филиппович; International Conference on Advanced Optoelectronics and Lasers(4th ; 2008 ; Apr. 29 Sep. - 04 Oct. ; Alushta, Crimea)
}
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18.

Density functional study of 110 -oriented thin silicon nanowires / P. B. Sorokin [et al.] // Phys. Rev. B. - 2008. - Vol. 77, Is. 23. - Ст. 235417, DOI 10.1103/PhysRevB.77.235417. - Cited References: 38 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
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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Держатели документа:
[Sorokin, Pavel B.
Kvashnin, Alexander G.
Kvashnin, Dmitry G.
Ovchinnikov, Sergey G.] Siberian Fed Univ, Krasnoyarsk 660041, Russia
[Sorokin, Pavel B.
Ovchinnikov, Sergey G.
Fedorov, Alexander S.] Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Sorokin, Pavel B.] Russian Acad Sci, Emanuel Inst Biochem Phys, Moscow 119334, Russia
[Avramov, Pavel V.] Kyoto Univ, Fukui Inst Fundamental Chem, Kyoto 6068103, Japan
ИФ СО РАН
Siberian Federal University, 79 Svobodny Avenue, Krasnoyarsk 660041, Russian Federation
Kirensky Institute of Physics, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk 660036, Russian Federation
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, 4 Kosigina Street, Moscow 119334, Russian Federation
Fukui Institute for Fundamental Chemistry, Kyoto University, 34-3 Takano Nishihiraki, Sakyo, Kyoto 606-8103, Japan

Доп.точки доступа:
Sorokin, P. B.; Сорокин, Павел Б.; Avramov, P. V.; Аврамов, Павел Вениаминович; Kvashnin, A. G.; Квашнин А. Г.; Kvashnin, D. G.; Квашнин, Дмитрий Геннадиевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Fedorov, A. S.; Федоров, Александр Семенович
}
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19.

Density-functional study of the Si/SiO2 interfaces in short-period superlattices: Vibrational states and Raman spectra / M. Smirnov, E. Roginskii, A. Savin [et al.] // Photonics. - 2023. - Vol. 10, Is. 8. - Ст. 902, DOI 10.3390/photonics10080902. - Cited References: 61. - The study was supported by grants from the Russian Science Foundation (project No. 22-22-20021) and the Saint-Petersburg Science Center (project No. 32/2022), using the resources of the Computing Center and the Center for Optical and Laser Materials Research at the Research Park of St. Petersburg State University. - The study was performed using the resources of the Computing Center and the Center for Optical and Laser Materials Research at the Research Park of St. Petersburg State University. The authors thank Konstantin Smirnov for his valuable advice. The calculations were also performed in part using the facilities of the JSCC supercomputer center at RAS and the Konstantinov computational center at the Ioffe Institute . - ISSN 2304-6732
Кл.слова (ненормированные):
silicon -- cristobalite -- interface -- superlattice -- Raman spectra -- DFT modelling
Аннотация: Raman spectroscopy has proven its effectiveness as a highly informative and sensitive method for the nondestructive analysis of layered nanostructures and their interfaces. However, there is a lack of information concerning the characteristic phonon modes and their activity in Si/SiO2 nanostructures. In order to overcome this problem, the phonon states and Raman spectra of several Si/SiO2 superlattices (SL) with layer thicknesses varied within 0.5–2 nm are studied using DFT-based computer modeling. Two types of structures with different interfaces between crystalline silicon and SiO2 cristobalite were studied. A relationship between the phonon states of heterosystems and the phonon modes of the initial crystals was established. Estimates of the parameters of deformation potentials are obtained, with the help of which the shifts of phonon frequencies caused by elastic strains in the materials of the SL layers are interpreted. The dependence of intense Raman lines on the SL structure has been studied. Several ways have been proposed to use this information, both for identifying the type of interface and for estimating the structural parameters. The obtained information will be useful for the spectroscopic characterization of the silicon/oxide interfaces.

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Faculty of Physics, Saint-Petersburg State University, Universitetskaya nab. 7/9, Saint-Petersburg 199034, Russia
Laboratory of Spectroscopy of Solid State, Ioffe Institute, Politehnicheskaya St. 26, Saint-Petersburg 194021, Russia
Laboratory of Molecular Spectroscopy, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok St. 50/38, Krasnoyarsk 660036, Russia
School of Engineering and Construction, Siberian Federal University, Svobodny pr. 82, Krasnoyarsk 660041, Russia
Center for Optical and Laser Materials Research, Research Park, Saint-Petersburg State University, Universitetskaya nab. 7/9, Saint-Petersburg 199034, Russia

Доп.точки доступа:
Smirnov, Mikhail; Roginskii, Evgenii; Savin, Aleksandr; Oreshonkov, A. S.; Орешонков, Александр Сергеевич; Pankin, Dmitrii
}
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20.

Density-functional theory study of the electronic structure of thin Si/SiO2 quantum nanodots and nanowires / P. V. Avramov [et al.] // Phys. Rev. B. - 2007. - Vol. 75, Is. 20. - Ст. 205427, DOI 10.1103/PhysRevB.75.205427. - Cited References: 63 . - ISSN 1098-0121

РУБ Physics, Condensed Matter
Рубрики:
ERBIUM ION LUMINESCENCE
   TOTAL-ENERGY CALCULATIONS
   WAVE BASIS-SET
   POROUS SILICON
   OPTICAL-PROPERTIES
   OXIDIZED SI
   SEMICONDUCTOR NANOWIRES
   PHASE-TRANSFORMATIONS
   NANOCRYSTALS
   CONFINEMENT
Аннотация: The atomic and electronic structures of a set of proposed pentagonal thin (1.6 nm in diameter) silicon/silica quantum nanodots (QDs) and nanowires (NWs) with narrow interface, as well as parent metastable silicon structures (1.2 nm in diameter), were studied using cluster B3LYP/6-31G(*) and periodic boundary condition (PBC) plane-wave (PW) pseudopotential (PP) local-density approximation methods. The total density of states (TDOS) of the smallest quasispherical QD (Si-85) corresponds well to the PBC PW PP LDA TDOS of the crystalline silicon. The elongated SiQDs and SiNWs demonstrate the metallic nature of the electronic structure. The surface oxidized layer opens the band gap in the TDOS of the Si/SiO2 species. The top of the valence band and the bottom of conduction band of the particles are formed by the silicon core derived states. The theoretical band gap width is determined by the length of the Si/SiO2 clusters and describes the size confinement effect in the experimental photoluminescence spectra of the silica embedded nanocrystalline silicon with high accuracy.

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Держатели документа:
Japan Atom Energy Agcy, Adv Sci Res Ctr, Takasaki Branch, Takasaki, Gumma 3701292, Japan
Russian Acad Sci, LV Kirensky Phys Inst, SB, Krasnoyarsk 660036, Russia
Russian Acad Sci, NM Emanuel Inst Biochem Phys, Moscow 119334, Russia
Kyoto Univ, Dept Energy Sci & Technol, Kyoto 6068501, Japan
ИФ СО РАН

Доп.точки доступа:
Avramov, P. V.; Аврамов, Павел Вениаминович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович; Sorokin, P. B.; Tomilin, F. N.; Томилин, Феликс Николаевич; Maeda, Y.
}
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