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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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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

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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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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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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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Bulgakov, E. N.
Resonant bending of silicon nanowires by incident light / E. N. Bulgakov, A. F. Sadreev // Opt. Lett. - 2020. - Vol. 45, Is. 19. - P. 5315-5318, DOI 10.1364/OL.406109. - Cited References: 29 . - ISSN 0146-9592
Кл.слова (ненормированные):
Aspect ratio -- Elastic waves -- Silicon -- Wave propagation
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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Держатели документа:
Kirensky Institute of Physics, Federal Research Center, KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Reshetnev Siberian State University of Science and Technology, Krasnoyarsk, 660037, Russian Federation

Доп.точки доступа:
Sadreev, A. F.; Садреев, Алмаз Фаттахович; Булгаков, Евгений Николаевич
}
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Composition-driven crystal structure transformation and magnetic properties of electrodeposited Co–W alloy nanowires / E. Yoo, A. Y. Samardak, Y. S. Jeon [et al.] // J. Alloys Compd. - 2020. - Vol. 843. - Ст. 155902, DOI 10.1016/j.jallcom.2020.155902. - Cited References: 48. - This study was supported by the Samsung Research Funding & Incubation Center of Samsung Electronics under Project Number SRFC-TA1703-06, and by the Russian Ministry of Science and Higher Education under the state task (0657 -2020-0013), by Act 211 of the Government of the Russian Federation (02.A03.21.0011). . - ISSN 0925-8388
Кл.слова (ненормированные):
Co–W alloy -- Nanowire -- Electrodeposition -- Crystal structure -- Electrodeposition -- First-order reversal curve
Аннотация: The cobalt (Co)–tungsten (W) alloys exhibit unique combinations of mechanical and magnetic properties, biocompatibility, resistance against corrosion, wear, and high-temperature, which makes them desirable materials for various practical applications. A nanoporous template with incorporated Co–W alloy nanowires is a soft magnetic composite, whose dielectric and magnetic properties can be tuned through the host material, pore distribution and size, Co–W composition and crystal structure, and geometry of the nanowires. Here, we report the composition-dependent structural and magnetic properties of Co–W alloy nanowires embedded in alumina templates by electrodeposition. The addition of W transforms cobalt from the crystalline hexagonal-close-packed (hcp) Co to a mixed nanocrystalline/amorphous-like Co(W) solid solution with ferromagnetic behavior and composition similar to that of the weakly magnetic Co3W compound. The combination of the approach to magnetic saturation, anisotropy field distribution method, micromagnetic simulations, and first-order reversal curve diagram identification method elucidates the structure-driven magnetization reversal processes in both individual nanowires and magnetostatically coupled array as a whole.

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Department of Materials Science and Engineering, Korea University, Seoul, 02841, South Korea
School of Natural Sciences, Far Eastern Federal University, Vladivostok, 690950, Russian Federation
National Research South Ural State University, Chelyabinsk, 454080, Russian Federation
Institute of Physics, SB Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Yoo, E.; Samardak, A. Y.; Jeon, Y. S.; Samardak, A. S.; Ognev, A. V.; Komogortsev, S. V.; Комогорцев, Сергей Викторович; Kim, Y. K.
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    Conversion of magnetic anisotropy in electrodeposited Co-Ni alloy nanowires / A. S. Samardak [et al.] // J. Magn. Magn. Mater. - 2015. - Vol. 383. - P. 94-99, DOI 10.1010/j.jmmm.2014.10.047. - Cited References:24. - This work was supported in part by the Russian Ministry of Education and Science and Far Eastern Federal University. M.N acknowledges the student financial support of Iranian Nanotechnology Initiative Council. . - ISSN 0304. - ISSN 1873-4766
   Перевод заглавия: Конверсия магнитной анизотропии в электроосажденных нанонитях сплава CoNi

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
COBALT NANOWIRES
ARRAYS
Кл.слова (ненормированные):
Coercive force -- Magnetic anisotropy -- Magnetic hysteresis -- Binary alloy -- nanowires -- Alumina template -- Electrodeposition
Аннотация: In this paper, the influence of alternating current (ac) electrodeposition frequency and waveform is reported on chemical composition, microstructure and consequently magnetic properties of Co-Ni binary alloy nanowire arrays embedded in an alumina template. For sinusoidal and square electrodeposition waveforms the easy axis of magnetization rotates from being parallel to perpendicular orientation to nanowire long axis as the deposition frequency increases from 200 to 800 Hz. The reason for the drastic change of magnetic anisotropy in nanowires is attributed to the increase of cobalt content and the crystal structure phase transformation from fcc-hcp mixture at high Ni content to imp at high Co content. We explain the conversion of magnetic behavior of nanowire arrays in terms of a competition between the shape and magnetocrystalline anisotropies. (C) 2014 Elsevier B.V. All rights reserved.

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Держатели документа:
Far Eastern Fed Univ, Sch Nat Sci, Vladivostok, Russia.
Sahand Univ Technol, Fac Mat Engn, Tabriz, Iran.
SB Russian Acad Sci, Inst Phys, Krasnoyarsk, Russia.

Доп.точки доступа:
Samardak, A. S.; Nasirpouri, F.; Nadi, M.; Sukovatitsina, E. V.; Ognev, A. V.; Chebotkevich, L. A.; Komogortsev, S. V.; Комогорцев, Сергей Викторович; Russian Ministry of Education and Science; Far Eastern Federal University; Iranian Nanotechnology Initiative Council
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10.

Cu-Ag and Ni-Ag meshes based on cracked template as efficient transparent electromagnetic shielding coating with excellent mechanical performance / A. S. Voronin, Y. V. Fadeev, I. V. Govorun [et al.] // J. Mater. Sci. - 2021. - Vol. 56. Is. 26. - P. 14741-14762, DOI 10.1007/s10853-021-06206-4. - Cited References: 79. - This work was supported by Russian Foundation for Basic Research project «mol_a» № 18-38-00852 and a scholarship from the President of the Russian Federation SP-2235.2019.1. The sputtering Ag seed mesh and physicochemical analysis of materials was carried out on the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center «Krasnoyarsk Science Center SB RAS» . - ISSN 0022-2461. - ISSN 1573-4803

РУБ Materials Science, Multidisciplinary
Рубрики:
COPPER NANOWIRES
   METALLIC MESH
   PLASTIC SUBSTRATE
   ELECTRODES
   FILMS
Аннотация: Nowadays, the technical advances call for efficient electromagnetic interference (EMI) shielding of transparent devices which may be subject to data theft. We developed Cu–Ag and Ni–Ag meshes on flexible PET substrate for highly efficiency transparent EMI shielding coating. Cu–Ag and Ni–Ag meshes obtained with galvanic deposition of copper and nickel on thin Ag seed mesh which was made by cracked template method. Coefficients S11, S21 and shielding efficiency (SE) were measured for Cu–Ag and Ni–Ag meshes in X-band (8–12 GHz) and K-band (18–26.5 GHz). 90 s copper deposition increase SE from 23.2 to 43.7 dB at 8 GHz with a transparency of 82.2% and a sheet resistance of 0.25 Ω/sq. The achieved maximum SE was 47.6 dB for Cu–Ag mesh with 67.8% transparency and 41.1 dB for Ni–Ag mesh with 77.8% transparency. Cu–Ag and Ni–Ag meshes have high bending and long-term stability. Minimum bend radius is lower than 100 µm. This effect allows to produce different forms of transparent shielding objects, for example, origami method. Our coatings are the leading among all literary solutions in three-dimensional coordinates: of sheet resistance–optical transmittance–cost of produced.

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Держатели документа:
Russian Acad Sci, Siberian Branch, Krasnoyarsk Sci Ctr, Fed Res Ctr,FRC KSC SB RAS, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Reshetnev Univ, Reshetnev Siberian State Univ Sci & Technol, Krasnoyarsk 660037, Russia.
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Voronin, A. S.; Fadeev, Y. V.; Govorun, I. V.; Говорун, Илья Валерьевич; Podshivalov, I. V.; Подшивалов, Иван Валерьевич; Simunin, M. M.; Tambasov, I. A.; Тамбасов, Игорь Анатольевич; Karpova, D. V.; Smolyarova, T. E.; Смолярова, Татьяна Евгеньевна; Lukyanenko, A. V.; Лукьяненко, Анна Витальевна; Karacharov, A. A.; Nemtsev, I. V.; Немцев, Иван Васильевич; Khartov, S. V.; Russian Foundation for Basic Research projectRussian Foundation for Basic Research (RFBR) [18-38-00852]; Russian FederationRussian Federation [SP-2235.2019.1]
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11.

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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12.

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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13.

    Electrodeposited Co93.2P6.8 nanowire arrays with core-shell microstructure and perpendicular magnetic anisotropy / F. Nasirpouri [et al.] // J. Appl. Phys. - 2015. - Vol. 117, Is. 17. - Ст. 17E715, DOI 10.1063/1.4919124. - Cited References:30. - Alexander Samardak and his colleagues acknowledge the support of the Russian Ministry of Education and Science under the state task 559 and Far Eastern Federal University. . - ISSN 0021. - ISSN 1089-7550
   Перевод заглавия: Электроосажденные массивы нанонитей Co93.2P6.8 со структурой ядро-оболочка и перпендикулярной магнитной анизотропией

РУБ Physics, Applied
Рубрики:
FERROMAGNETIC NANOWIRES
   STRUCTURAL-PROPERTIES
   NI
   ALUMINA
   FE
Аннотация: We demonstrate the formation of an unusual core-shell microstructure in Co93.2P6.8 nanowires electrodeposited by alternating current (ac) in an alumina template. By means of transmission electron microscopy, it is shown that the coaxial-like nanowires contain amorphous and crystalline phases. Analysis of the magnetization data for Co-P alloy nanowires indicates that a ferromagnetic core is surrounded by a weakly ferromagnetic or non-magnetic phase, depending on the phosphor content. The nanowire arrays exhibit an easy axis of magnetization parallel to the wire axis. For this peculiar composition and structure, the coercivity values are 2380 ± 50 and 1260 ± 35 Oe, parallel and perpendicular to the plane directions of magnetization, respectively. This effect is attributed to the core-shell structure making the properties and applications of these nanowires similar to pure cobalt nanowires with an improved perpendicular anisotropy.

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Держатели документа:
Sahand Univ Technol, Fac Mat Engn, Tabriz 513351996, Iran
Far Eastern Fed Univ, Sch Nat Sci, Vladivostok, Russia
SB Russian Acad Sci, Inst Phys, Krasnoyarsk 660036, Russia
Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England

Доп.точки доступа:
Nasirpouri, F.; Peighambari, S. M.; Samardak, A. S.; Ognev, A. V.; Sukovatitsina, E. V.; Modin, E. B.; Chebotkevich, L. A.; Komogortsev, S. V.; Комогорцев, Сергей Викторович; Bending, S. J.; Russian Ministry of Education and Science [559]; Far Eastern Federal University
}
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14.

Fe nanowires in carbon nanotubes as an example of a one-dimensional system of exchange-coupled ferromagnetic nanoparticles / R. S. Iskhakov [et al.] // JETP Letters. - 2003. - Vol. 78, Is. 4. - P. 236-240, DOI 10.1134/1.1622038. - Cited References: 38 . - ISSN 0021-3640

РУБ Physics, Multidisciplinary
Рубрики:
MAGNETIC-PROPERTIES
   RANDOM ANISOTROPY
   ELECTRODEPOSITED NANOWIRES
   NI NANOWIRES
   ARRAYS
   NANOCRYSTALLINE
   ALUMINA
   NICKEL
   PORES
   STATE
Аннотация: The cooperative phenomena revealed in the field and temperature dependences of the magnetization in a system of iron nanoparticles in carbon nanotubes were studied experimentally. The character of the temperature dependences of the magnetization indicates that the ferromagnetic Fe particles in carbon nanotubes are exchange-coupled. In the region where the magnetization approaches saturation, the magnetization curves reveal the power dependence DeltaM similar to H-3/2 typical for a one-dimensional system of exchange-coupled ferromagnetic nanoparticles. (C) 2003 MAIK "Nauka / Interperiodica".

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Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Nikolaev Inst Inorgan Chem, Siberian Div, Novosibirsk 630090, Russia
Russian Acad Sci, Boreskov Inst Catalysis, Siberian Div, Novosibirsk 630090, Russia
ИФ СО РАН
Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk, Akademgorodok, 660036, Russian Federation
Nikolaev Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, pr. Akademika Lavrent'eva 3, Novosibirsk, 630090, Russian Federation
Boreskov Institute of Catalysis, Siberian Division, Russian Academy of Sciences, pr. Akademika Lavrent'eva 5, Novosibirsk, 630090, Russian Federation

Доп.точки доступа:
Iskhakov, R. S.; Исхаков, Рауф Садыкович; Komogortsev, S. V.; Комогорцев, Сергей Викторович; Balaev, A. D.; Балаев, Александр Дмитриевич; Okotrub, A. V.; Kudashov, A. G.; Kuznetsov, V. L.; Butenko, Y. V.
}
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15.

Ferromagnet-antiferromagnet transition in layered perovskites of Sr3YCo4O10.5 type / I. O. Troyanchuk [et al.] // Mater. Res. Express. - 2019. - Vol. 6, Is. 2. - Ст. 026105, DOI 10.1088/2053-1591/aaef21. - Cited References: 30. - This work was supported by the Belarussian Foundation for Basic Research (project F18R-159) and Russian Foundation Basic Research (contract no. 18-52-00020). Yu S Orlov and SG Ovchinnikov are grateful Russian Foundation Basic Research (contracts no. 18-52-00017 Bel_a, 16-02-00507) and Council on grants of the President of the Russian Federation (SP-1844.2016.1) for the support. . - ISSN 2053-1591

РУБ Materials Science, Multidisciplinary
Рубрики:
SPIN
NANOWIRES
Кл.слова (ненормированные):
neutron diffraction -- orbital ordering -- spin state
Аннотация: Sr1−xYxCoO2.65 (x = 0.2) with layered perovskite structure was studied by neutron diffraction, synchrotron x-ray and magnetometry methods. It is shown that in the 90–375 K temperature range the crystal structure can be described by the monoclinic space group A2/m with the superstructure 4√2a p × 2√2a p × 4a p (with a p corresponding to the unit cell parameter of the primitive cell) while basic diffraction peaks are well indexed in the space group I4/mmm (2a p × 2a p × 4a p ) shows an almost standard magnetization. The basic magnetic structure is G-type antiferromagnetic with average magnetic moments of 2.7 μ B/Co and 1.7 μ B/Co in anion-deficient CoO4+γ and stoichiometric CoO6 layers, respectively. A ferromagnetic component of about 0.27 μ B/Co is determined from the magnetization measurements at 8 K. Sr0.8Y0.2CoO2.65 shows an almost standard magnetization versus temperature dependence whereas Sr0.75Y0.25CoO2.65 exhibits an antiferromagnet-ferromagnet transition accompanied by a structural transformation. There is practically no spontaneous magnetization in x = 0.3. The type of the magnetic structure and the high value of TN suggest that the Co3+ ions are in both structural layers predominantly in the low-spin (LS)/high-spin (HS) state mixture. It is proposed that the ferromagnetic component is due to the orbital ordering occurring at TN in the CoO5 pyramids and the concomitant appearance of ferromagnetic coupling between the Co3+(HS) ions located in these CoO5 pyramids in the anion-deficient CoO4+γ layer.

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Держатели документа:
Natl Acad Sci Belarus Mat Sci, Sci & Pract Ctr, Minsk, BELARUS.
Joint Inst Nucl Res, Dubna, Russia.
Inst Laue Langevin, Grenoble, France.
Fed Res Ctr KSC SB RAS, Kirensky Inst Phys, Krasnoyarsk, Russia.
Siberian Fed Univ, Krasnoyarsk 660074, Russia.

Доп.точки доступа:
Troyanchuk, I. O.; Bushinsky, M. V.; Tereshko, N. V.; Lanovsky, R. A.; Sikolenko, V. V.; Ritter, C.; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич; Belarussian Foundation for Basic Research [F18R-159]; Russian Foundation Basic Research [18-52-00017 Bel_a, 16-02-00507, 18-52-00020]; Council on grants of the President of the Russian Federation [SP-1844.2016.1]
}
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16.

Filicheva, J. A.
The study of vibration properties of silicon nanowires / J. A. Filicheva, P. B. Sorokin // 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. 35

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; Sorokin, P. B.; "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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17.

Formation of phases and microstructure of ZnO and TiO2 based ceramic / G. M. Zeer [et al.] // Glass Ceram. - 2015. - Vol. 72, Is. 7-8. - P. 242-245, DOI 10.1007/s10717-015-9765-8. - Cited References:15. - This work was supported in part by the Russian Foundation for Fundamental Research (Grant No. 13-08-01003-a) and the Ministry of Education of the Russian Federation (as part of scientific research tasked by the state to the Siberian Federal University for 2014). . - ISSN 0361-7610. - ISSN 1573-8515

РУБ Materials Science, Ceramics
Рубрики:
GLASS ENAMEL COATINGS
NANOWIRES
Кл.слова (ненормированные):
electrocontact materials -- metal oxides -- zinc titanate -- nanopowders -- ceramic -- microstructure -- phase formation
Аннотация: Nanopowders of zinc and titanium oxides were used to obtain samples of Zn2TiO4-ZnO ceramic. Phase formation as well as the microstructure and elemental composition of the phases formed were studied by means of electron microscopy. The density and porosity were calculated, and the sizes of grains and pores in the ceramic were determined. The temperature at the zinc titanate forms was determined. It was shown that it corresponds to the sintering temperature of electrocontact materials with this composition. It is proposed that zinc titanate and oxide be used as arc-suppressing and dispersion-hardening additional additives in copper-based electrocontact materials.

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Публикация на русском языке Формирование фаз и микроструктуры керамики на основе ZnO и TiO2 [Текст] / Г. М. Зеер [и др.] // Стекло и керамика. - 2015. - № 7. - С. 16-19

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk, Russia.
MF Reshetnev Siberian State Aerosp Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Zeer, G. M.; Zelenkova, E. G.; Nikolaeva, N. S.; Zharkov, S. M.; Жарков, Сергей Михайлович; Pochekutov, S. I.; Ledyaeva, O. N.; Sartpaeva, A. B.; Mikheev, A. A.; Russian Foundation for Fundamental Research [13-08-01003-a]; Ministry of Education of the Russian Federation
}
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18.

Gokhfeld, D. M.
Computation of current-voltage characteristics of the SNS junctions / D. . Gokhfeld // Physica C. - 2007. - Vol. 460: 8th International Conference on Materials and Mechanisms of Superconductivity and High Temperature Superconductors (JUL 09-14, 2006, Dresden, GERMANY). - P. 807-808, DOI 10.1016/j.physc.2007.04.078. - Cited References: 8 . - ISSN 0921-4534

РУБ Physics, Applied
Рубрики:
WEAK LINKS
Кл.слова (ненормированные):
weak link -- Andreev scattering -- subharmonic gap structure -- Andreev scattering -- Subharmonic gap structure -- Weak link -- Current voltage characteristics -- Nanowires -- Reflection -- Thermal effects -- Andreev scattering -- Microbridges -- Subharmonic gap structure -- Weak links -- Josephson junction devices
Аннотация: Simplified model for current-voltage characteristics of weak links (superconductor - normal metal - superconductor junctions, micro-bridges, superconducting nanowires) is suggested. It is based on approach which considers Andreev reflections as responsible for the transfer of dissipative current through the metallic Josephson junction. The current-voltage characteristics of tin microbridges at different temperatures were computed. (c) 2007 Elsevier B.V. All rights reserved.

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Держатели документа:
LV Kirenskii Inst Phys, SD RAS, Krasnoyarsk 660036, Russia
ИФ СО РАН
L.V. Kirensky Institute, Physics SD RAS, Akademgorodok 50/38, Krasnoyarsk, 660036, Russian Federation

Доп.точки доступа:
Гохфельд, Денис Михайлович
}
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19.

Growth of α-FeSi2 nanocrystals on si(100) with Au catalyst / I. A. Tarasov [et al.] // Mater. Lett. - 2016. - Vol. 168. - P. 90-94, DOI 10.1016/j.matlet.2016.01.033. - Cited References: 25. - The work was supported by the Program of the President of the Russian Federation for the support of leading scientific schools (Scientific School 2886.2014.2), The Russian Foundation for Basic Research (RFBR) (Grants no. 13-02-01265), State Contract no. 02.G25.31.0043 and State Task no. 16.663.2014К). . - ISSN 0167-577X

РУБ Materials Science, Multidisciplinary + Physics, Applied
Рубрики:
EPITAXIAL-GROWTH
   LOW-TEMPERATURE
   FeSi2
   NANOWIRES
   Si(111)
   FILMS
   Si
Кл.слова (ненормированные):
Nanomaterials -- Molecular beam epitaxy -- α-FeSi2 -- Electrode
Аннотация: Self-organized α-FeSi2 nanocrystals on (100) silicon substrate were synthesized by molecular beam epitaxy with Au catalyst. The microstructure and basic orientation relationship between the silicide nanocrystals and silicon substrate were analyzed in detail. α-FeSi2 nanocrystals appeared to be inclined trapezoid and rectangular nanoplates, polyhedral nanobars and pyramid-like ones, aligned along 011 directions on (100) silicon substrate with the length up to 1.5 μm, width ranging between 80 and 500 nm and thickness from 30 to 170 nm. As has been proposed metallic iron silicide may be used for manufacturing electric contacts on silicon. A current-voltage characteristic of the structure was measured at room temperature and showed good linearity.

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Держатели документа:
Siberian State Aerospace University, 31 Krasnoyarsky Rabochiy Av., Krasnoyarsk, Russian Federation
Kirensky Institute of Physics, Russian Academy of Sciences, Akademgorodok 50, bld. 38, Krasnoyarsk, Russian Federation
Far Eastern State Transport University, Serysheva str. 47, Khabarovsk, Russian Federation
Krasnoyarsk Scientific Centre, Russian Academy of Sciences, Akademgorodok 50, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Tarasov, I. A.; Тарасов, Иван Анатольевич; Yakovlev, I. A.; Яковлев, Иван Александрович; Molokeev, M. S.; Молокеев, Максим Сергеевич; Rautskii, M. V.; Рауцкий, Михаил Владимирович; Nemtsev, I. V.; Немцев, Иван Васильевич; Varnakov, S. N.; Варнаков, Сергей Николаевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
}
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20.

    Influence of the filler particles’ surface morphology on the polyurethane matrix’s structure formation in the composite / T. A. Shalygina, M. S. Rudenko, I. V. Nemtsev [et al.] // Polymers. - 2021. - Vol. 13, Is. 22. - Ст. 3864, DOI 10.3390/polym13223864. - Cited References: 32. - This work was carried out by the team of the scientific laboratory “Intelligent Materials and Structures” within the state assignment of the Ministry of Science and Higher Education of the Russian Federation for the implementation of the project “Development of multifunctional smart materials and structures based on modified polymer composite materials capable to function in extreme conditions” (Project No. FEFE-2020-0015) . - ISSN 2073-4360
   Перевод заглавия: Влияние морфологии поверхности частиц наполнителя на формирование структуры полиуретановой матрицы в композите
Кл.слова (ненормированные):
polyurethane -- surface morphology -- nanoparticles -- nanowires -- core-shell -- molecular mobility -- molecular heterogeneity -- interfacial layers -- boundary layer -- transition layer
Аннотация: This article presents the surface morphology effect of silicon carbide (SiC) particles on the polyurethane binder’s structure formation in a dispersed-filled composite. The difference in the morphology and surface relief of filler particles was ensured by the implementation of plasma chemical modification. As a result of this modification, the filler consisted of core-shell particles characterized by a SiC core and a carbon shell (SiC@C), as well as a carbon shell decorated with silicon nanoparticles (SiC@C/SiNP) or nanos (SiC@C/SiNW). The study of the relaxation properties of polyurethane composites has shown that the strongest limiting effect on the molecular mobility of boundary layer’s chain segments is exerted by a highly developed surface with a complex relief of SiC@C/SiNP and SiC@C/SiNW particles. An empirical method was proposed to find the polymer fractions spent on the formation of the boundary, transition and bulk layers of the polymer matrix in the composite. It was shown that the morphology of the filler particles’ surface does not affect the dependence of the boundary layer thickness on the filler’s volume fraction. However, with an increase in the degree of surface development, the boundary layer thickness decreases.

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Держатели документа:
Smart Materials and Structures Lab., Department of Aircraft, Reshetnev Siberian State University of Science and Technology, 31 KrasnoyarskyRabochy Av., Krasnoyarsk 660037, Russia
L.V. Kirensky Institute of Physics SB RAS, Institute of Chemistry and Chemical Technology, Federal Research Center “Krasnoyarsk Science Center of the Siberian Branch of the Russian Academy of Sciences”, 50 Akademgorodok, Krasnoyarsk 660036, Russia
Lomonosov Institute of Fine Chemical Technologies, MIREA—Russian Technological University, Vernadskogo Avenue 86, Moscow 119571, Russia

Доп.точки доступа:
Shalygina, T. A.; Rudenko, M. S.; Nemtsev, I. V.; Немцев, Иван Васильевич; Parfenov, V. A.; Парфенов В. А.; Voronina, S. Y.; Simonov-Emelyanov, I. D.; Borisova, P. E.
}
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