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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) : Alekseev K. N., Perina J.
Заглавие : Light squeezing at the transition to quantum chaos
Место публикации : Phys. Rev. E: AMERICAN PHYSICAL SOC, 1998. - Vol. 57, Is. 4. - P4023-4034. - ISSN 1063-651X, DOI 10.1103/PhysRevE.57.4023
Примечания : Cited References: 62
Предметные рубрики: HIGHLY-EXCITED ATOMS
ELECTROMAGNETIC-FIELD
ANHARMONIC-OSCILLATOR
MICROWAVE IONIZATION
MONOCHROMATIC-FIELD
CLASSICAL MECHANICS
PERIODIC-ORBITS
RYDBERG ATOMS
HYDROGEN-ATOM
SYSTEMS
Аннотация: We investigate theoretically the dynamics of squeezed state generation in nonlinear systems possessing a transition from regular to chaotic dynamics in the limit of a large number of photons. As an example, the model of a kicked Kerr oscillator is considered. We show that at the transition to quantum chaos the maximum possible degree of squeezing increases exponentially in time, in contrast to the regular dynamics, where the degree of squeezing increases only powerwise in time. We demonstrate the one-to-one correspondence of the degree of squeezing and the value of the local Lyapunov instability rate in the corresponding classical chaotic system.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Alekseev K. N., Alekseeva N. V., Perina J.
Заглавие : Quantum-classical correspondence and nonclassical state generation in dissipative quantum optical systems
Место публикации : J. Exp. Theor. Phys.: AMER INST PHYSICS, 2000. - Vol. 90, Is. 4. - P592-599. - ISSN 1063-7761, DOI 10.1134/1.559142
Примечания : Cited References: 32
Предметные рубрики: 2ND-HARMONIC GENERATION
STATISTICAL PROPERTIES
HARMONIC-GENERATION
SQUEEZED STATES
CHAOS
LIGHT
NONLINEARITIES
INSTABILITIES
DYNAMICS
ATOMS
Аннотация: We develop a semiclassical method to determine the nonlinear dynamics of dissipative quantum optical systems in the limit of large number of photons N; it is based on the 1/N-expansion and the quantum-classical correspondence. The method is used to tackle two problems: the study of the dynamics of nonclassical state generation in higher order anharmonic dissipative oscillators and the establishment of the difference between the quantum and classical dynamics of the second-harmonic generation in a self-pulsing regime. In addressing the first problem, we obtain an explicit time dependence of the squeezing and the Fano factor for an arbitrary degree of anharmonism in the short-time approximation. For the second problem, we analytically find a characteristic time scale at which the quantum dynamics differs insignificantly from the classical one. (C) 2000 MAIK "Nauka/Interperiodica".
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Arkhipkin V. G., Timofeev I. V.
Заглавие : Induction of the maximum Raman coherence in an extended medium through fractional adiabatic passage
Место публикации : Opt. Spectrosc.: Maik Nauka/Interperiodica/Springer, 2006. - Vol. 100, Is. 3. - P.433-436. - ISSN 0030-400X, DOI 10.1134/S0030400X06030210
Примечания : Cited References: 24
Предметные рубрики: POPULATION TRANSFER
LASER-PULSES
ATOMS
Аннотация: The effect of fractional stimulated Raman adiabatic passage in an optically dense medium of three-level Lambda atoms is shown to result in the maximum coherence on the Raman transition on a length of the medium that considerably exceeds the length of linear resonant absorption. The general case of unequal oscillator strengths of the adjacent transitions is analyzed. The results are of interest for coherent anti-Stokes Raman spectroscopy with delayed pulses.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Arkhipkin V. G., Myslivets S. A.
Заглавие : One- and two-dimensional Raman-induced diffraction gratings in atomic media
Место публикации : Phys. Rev. A. - 2018. - Vol. 98, Is. 1. - Ст.013838. - ISSN 2469-9926, DOI 10.1103/PhysRevA.98.013838. - ISSN 2469-9934(eISSN)
Примечания : Cited References: 37
Предметные рубрики: ELECTROMAGNETICALLY INDUCED TRANSPARENCY
COLD ATOMS
ABSORPTION
Аннотация: We propose and analyze an efficient scheme for the one- and two-dimensional atomic gratings based on periodic spatial modulation of the Raman gain and dispersion, which we name the Raman-induced diffraction gratings (RIDGs). There are fundamentally different from those based on electromagnetically induced transparency. As the probe field propagates along the direction normal to the standing pump wave, it can be effectively diffracted into high-order directions. The grating is a hybrid grating, i.e. it represents a mixture of amplitude and phase gratings. We identify the conditions when all high-order diffractions are amplified. In addition, we also show that diffraction of a probe field could be dynamically controlled using an additional laser field. With its help, it is possible to suppress or amplify diffraction beams. The RIDGs can be considered as all-optical multibeam splitters with amplification.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Arkhipkin V. G., Myslivets S. A.
Заглавие : Transmission and reflection spectra of a photonic crystal with a Raman defects
Место публикации : J. Exp. Theor. Phys.: MAIK NAUKA/INTERPERIODICA/SPRINGER, 2011. - Vol. 111, Is. 6. - P898-906. - ISSN 1063-7761, DOI 10.1134/S1063776110120022
Примечания : Cited References: 37. - This work was supported by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project no. NSh-7810.2010.3), the Presidium of the Russian Academy of Sciences (project no. 27.1), the Ministry of Education and Science of the Russian Federation (state contract no. 02.740.11.0220), and the Siberian Branch, Russian Academy of Sciences (integration project no. 5).
Предметные рубрики: ELECTROMAGNETICALLY INDUCED TRANSPARENCY
SLOW-LIGHT
NONLINEAR OPTICS
MICROCAVITIES
LASERS
AMPLIFIER
MODES
Ключевые слова (''Своб.индексиров.''): group velocities--high frequency hf--microwatts--nonlinear refractive index--one dimensional photonic crystal--probe field--pump intensities--raman gain--raman resonances--reflection spectra--spectral position--three level atoms--transmission spectrums--defects--dispersion (waves)--probes--pumping (laser)--pumps--refractive index--resonance--photonic crystals
Аннотация: Features of Raman gain of probe radiation in three-level atoms placed in a defect of a one-dimensional photonic crystal in the presence of laser radiation (pump) at an adjacent high-frequency transition have been theoretically investigated. It has been shown that there is a pump intensity range where narrow peaks (resonances) simultaneously appear in the transmission and reflection spectra of the probe field. Beyond this region, the peak in the transmission spectrum is transformed to a narrow dip. The spectral position of these peaks is determined by the Raman resonance and the transmittance and reflectance can be larger than unity at pump intensities from several microwatts per square centimeter to several tens of milliwatts per square centimeter. The nature of narrow peaks is due to a sharp dispersion of a nonlinear refractive index near the Raman resonance; this dispersion is responsible for a strong decrease in the group velocity of probe radiation. The proposed scheme makes it possible to obtain controlled ultranarrow resonances in the transmission and reflection spectra of the photonic crystal.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kolovsky A. R.
Заглавие : Atomic current in optical lattices: Reexamination of the Esaki-Tsu equation
Место публикации : Phys. Rev. A. - COLLEGE PK: AMER PHYSICAL SOC, 2008. - Vol. 77, Is. 6. - С. 063604. - JUN. - ISSN 1050-2947, DOI 10.1103/PhysRevA.77.063604
Примечания : Cited Reference Count: 13
Ключевые слова (''Своб.индексиров.''): atomic physics--atoms--crystal lattices--optical materials--standards--systems analysis--velocity control--american physical society (aps)--drift currents--master equations--optical lattices (ol)--standard form--velocity distribution
Аннотация: This paper discusses the master equation approach to the derivation of the Esaki-Tsu equation for drift current. It is shown that the relaxation term in the master equation can be identified by measuring the velocity distribution of the carriers. We also show that the standard form of the relaxation term, used earlier to derive the Esaki-Tsu equation, predicts unphysical velocity distribution. We suggest a more elaborate relaxation term, which is argued to correctly capture the effect of a bosonic bath in experiments on atomic current in optical lattices.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Voronin A. S., Masiygin A. N., Molokeev M. S., Khartov S. V.
Заглавие : Atomic layer deposition ZnO on porous Al2O3 nanofibers film
Коллективы : International Scientific Conference on Applied Physics, Information Technologies and Engineering
Место публикации : J. Phys. Conf. Ser. - 2020. - Vol. 1679, Is. 2. - Ст.022072. - DOI 10.1088/1742-6596/1679/2/022072
Примечания : Cited References: 10. - Studies by scanning electron microscopy and X-ray powder diffraction were performed on the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center «Krasnoyarsk Science Center SB RAS». The transmission electron microscopy investigations were conducted in the SFU Joint Scientific Center supported by the State assignment (#FSRZ-2020-0011) of the Ministry of Science and Higher Education of the Russian Federation
Аннотация: The paper presents the results of the formation and study of the morphological and structural characteristics of the mesoporous ZnO / Al2O3 nanofibers film (ZANF). The deposition of a ZnO layer on Al2O3 nanofibers film (ANF) ~ 1 µm thick was carried out by the method of atomic layer deposition. The morphology of the mesoporous composite layer ZnO / Al2O3 (ZANF) has been studied by scanning and transmission electron microscopy. It is shown that in the process of atomic layer deposition, the ZnO layer grows according to the Stranski-Krastanov mechanism. A ZnO layer less than 5 nm thick gives an island structure in which Al2O3 nanofibers are uniformly coated with ZnO particles, an increase in the ZnO layer thickness to 15 nm demonstrates a continuous coating of Al2O3 nanofibers. The system has a core-shell structure. The resulting composite structures are promising for applications in photocatalysis and gas sensing.
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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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10.

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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