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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Kuzubov A. A., Fedorov A. S., Sorokin P. B., Tomilin F. N., Maeda Y.
Заглавие : Density-functional theory study of the electronic structure of thin Si/SiO2 quantum nanodots and nanowires
Место публикации : Phys. Rev. B: AMERICAN PHYSICAL SOC, 2007. - Vol. 75, Is. 20. - Ст.205427. - ISSN 1098-0121, DOI 10.1103/PhysRevB.75.205427
Примечания : Cited References: 63
Предметные 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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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Эдельман, Ирина Самсоновна, Иванова, ОксанаС таниславовна, Заблуда, Владимир Николаевич, Иванцов, Руслан Дмитриевич, Бондаренко, Геннадий Васильевич, Зайковский В. И., Степанов С. А.
Заглавие : Формирование магнитных нанокристаллов в Ge-стеклах, допированных Fe и Dy
Место публикации : Российские нанотехнологии. - Москва: Парк-медиа, 2008. - Т. 3, № 11-12. - С. 136-142. - ISSN 1992-7223. - ISSN 1993-4068(eissn)
ГРНТИ : 29.19
УДК : 537.632; 538.911; 538.955; 537.621
Предметные рубрики:
Аннотация: Синтезированы магнитные нанокомпозиты на основе германатных стекол, допированных оксидами Fe и Dy в невысоких концентрациях. С помощью электронной микроскопии высокого разрешения выявлено формирование наночастиц размерами от ~5 до 20 нм в стеклах, подвергнутых термообработкам в различных режимах. Наночастицы имели хорошо разрешимую кристаллическую структуру. С помощью микрозондового флуоресцентного рентгеновского анализа показано, что железо и диспрозий сосредоточены в частицах. Полевые зависимости магнитооптических эффектов свидетельствуют о магнитном порядке в частицах. Сравнение межплоскостных расстояний, полученных с помощью электронной микродифракции, с известными оксидными соединениями железа не дало однозначных результатов. В тоже время почти все особенности спектров магнитного кругового дихроизма в стеклах соответствуют аналогичным особенностям, наблюдавшимся ранее в ферритах-гранатах, что позволило предположить формирование частиц с искаженной структурой граната.Magnetic nanocomposites were synthesized on the base of germanate glasses doped with low concentrations of iron and dysprosium oxides. Formation of nanoparticles of 5-20 nm in size in the glasses subjected to the additional thermal treatment was proved with High Resolution Transmitted Electron Microscope. Nanoparticles had well resolved crystal structure. Fe and Dy were shown to be collected inside nanoparticles. Dependences of magneto-optical effects on the external magnetic field showed the existence of magnetic order in particles. Comparison of inter planar crystal spacing obtained with that of the known Fe oxide compounds gave no unambiguous results. At the same time almost all peculiarities observed in the magnetic circular dichroism spectra of the glasses corresponded to that in Fe-garnets what allowed supposing formation of the particles with the distorted garnet structure.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Ignatchenko V. A., Mankov Yu. I.
Заглавие : Effects of inhomogeneities with extended correlations on the spin wave spectrum in nanocrystals and superlattices
Коллективы : Moscow International Symposium on Magnetism, Московский государственный университет им. М.В. Ломоносова, Российский фонд фундаментальных исследований
Место публикации : Moscow Int. Symp. on Magnet. (MISM-2008): June 20-25, 2008, Moscow : book of abstract. - 2008. - Ст.24TL-F-3. - p.581-582
Примечания : These works were supported by the Grant of the RF President, SS-3818.2008.3.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Avramov P. V., Kuzubov A. A., Fedorov D. G., Irle S., Morokuma K.
Заглавие : Strong Electron Correlations Determine Energetic Stability and Electronic Properties of Er-Doped Goldberg-Type Silicon Quantum Dots
Место публикации : J. Phys. Chem. C. - 2009. - Vol. 113, Is. 36. - P.15964-15968. - SEP 10. - ISSN 1932-7447, DOI 10.1021/jp904996e
Примечания : Cited Reference Count: 43. - 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 Tcchnology Agency (JST) and a collaborative RFBR-JSPS Grant 0902-92107-Phi. One of the authors (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.Финансирующая организация: Japan Science and Tcchnology Agency (JST); RFBR-JSPS Grant; Ministry of Education, Culture, Sports, Science and Technology (MEXT) of Japan
Предметные рубрики: IMPLANTED POROUS SILICON
AUGMENTED-WAVE METHOD
MU M LUMINESCENCE
SI NANOCRYSTALS
THIN-FILMS
BASIS-SET
ERBIUM
PHOTOLUMINESCENCE
DENSITY
PSEUDOPOTENTIALS
Ключевые слова (''Своб.индексиров.''): ab initio--atomic structure--density functionals--empirical pseudo-potential--endohedrals--energetic stability--er-doped--erbium complexes--erbium ion--experimental data--hartree-fock--many body perturbation theory--mass centers--perturbation approach--plane wave--pseudopotentials--quantum dot--silicon quantum dots--strong binding--strong electron correlations--theoretical result--crystal atomic structure--electron correlations--electron density measurement--electronic properties--electronic structure--erbium--perturbation techniques--structural optimization--semiconductor quantum dots
Аннотация: Atomic and electronic structures of Goldberg-type silicon quantum dots and their endohedral erbium complexes were studied using ab initio and plane wave pseudopotential density functional and Moller-Plesset many-body perturbation theories. During atomic structure optimizations, the erbium ions occupy mass centers inside the central hollows of quantum dots of different symmetries. It was found that strong electron correlations within the Er 4f shell taken into account by empirical pseudopotential and post-Hartree-Fock perturbation approaches are responsible for strong binding of Er ions to quantum dots. We elucidate the effects of symmetry and discuss theoretical results in comparison to available experimental data,
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P.B., Kvashnin D.G., Kvashnin A.G., Avramov P. V., Chernozatonskii L.A.
Заглавие : Theoretical study of elastic properties of SiC nanowires of different shapes
Место публикации : J. Nanosci. Nanotechnol. - 2010. - Vol. 10, Is. 8. - P.4992-4997. - ISSN 1533-4880, DOI 10.1166/jnn.2010.2424. - ISSN 1533-4899
Примечания : Cited Reference Count: 49. - Гранты: This work was partially supported by JSPS-RFBR collaborative grant 09-02-92107. The electronic structure calculations have been performed on the Joint Supercomputer Centre of the Russian Academy of Sciences. One of the authors (Pavel V. Avramov) acknowledges the encouragement of Professor K. Morokuma, research leader of Fukui Institute, Kyoto University and Dr. Alister Page for kind help and support. The geometry of all structures was visualized by ChemCraft software.SUP53/SUPФинансирующая организация: JSPS-RFBR [09-02-92107]; Fukui Institute, Kyoto University
Предметные рубрики: INITIO MOLECULAR-DYNAMICS
SILICON-CARBIDE
THERMAL-STABILITY
CARBON NANOTUBES
NANORODS
GROWTH
SURFACES
NANOCRYSTALS
POTENTIALS
CONSTANTS
Ключевые слова (''Своб.индексиров.''): silicon carbide--nanowires--elastic properties--dft--molecular mechanics--dft--elastic properties--molecular mechanics--nanowires--silicon carbide--atomic structure--cubic phasis--dft--effective size--elastic properties--sic nanowire--silicon carbide nanowires--theoretical study--wire geometries--young's modulus--crystal atomic structure--density functional theory--elastic moduli--elasticity--molecular mechanics--nanowires--wire--silicon carbide
Аннотация: The atomic structure and elastic properties of silicon carbide nanowires of different shapes and effective sizes were studied using density functional theory and classical molecular mechanics. Upon surface relaxation, surface reconstruction led to the splitting of the wire geometry, forming both hexagonal (surface) and cubic phases (bulk). The behavior of the pristine SiC wires under compression and stretching was studied and Young's moduli were obtained. For Y-shaped SiC nanowires the effective Young's moduli and behavior in inelastic regime were elucidated.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Sorokin P.B., Kvashnin A.G., Kvashnin D.G., Filicheva J.A., Avramov P. V., Chernozatonskii L.A., Fedorov A. S.
Заглавие : Theoretical Study of Atomic Structure and Elastic Properties of Branched Silicon Nanowires
Место публикации : ACS Nano. - 2010. - Vol. 4, Is. 5. - P.2784-2790. - MAY. - ISSN 1936-0851, DOI 10.1021/nn9018027
Примечания : Cited Reference Count: 28. - Гранты: P.B.S. acknowledges partial support by the National Science Foundation grant CMMI-0708096, NIRT. L.A.C. was supported by the Russian Academy of Sciences, program No. 21. P.V.A. and P.B.S. also acknowledge the collaborative RFBR-JSPS Grant No. 09-02-92107-Phi. All calculations have been performed on the Joint Supercomputer Center of the Russian Academy of Sciences. The geometry of all presented structures was visualized by ChemCraft software.Финансирующая организация: National Science Foundation [CMMI-0708096]; NIRT; Russian Academy of Sciences [21]; RFBR-JSPS [09-02-92107-Phi]
Предметные рубрики: ELECTRONIC-PROPERTIES
BUILDING-BLOCKS
NANOCRYSTALS
Ключевые слова (''Своб.индексиров.''): silicon nanowires--elastic properties--molecular mechanics--tersoff potential--elastic properties--molecular mechanics--silicon nanowires--tersoff potential--atomic structure--branch length--elastic properties--interatomic potential--silicon nanowires--tersoff potential--theoretical study--young modulus--carbon nanotubes--elasticity--molecular mechanics--nanowires--stiffness--crystal atomic structure--nanowire--silicon--article--chemical structure--chemistry--conformation--elasticity--mechanical stress--young modulus--elastic modulus--elasticity--models, molecular--molecular conformation--nanowires--silicon--stress, mechanical
Аннотация: The atomic structure and elastic properties of Y-shaped silicon nanowires of "fork"- and "bough"-types were theoretically studied, and effective Young moduli were calculated using Tersoff interatomic potential. The oscillation of fork Y-type branched nanowires with various branch lengths and diameters was studied. In the final stages of the bending, the formation of new bonds between different parts of the wires was observed. It was found that the stiffness of the nanowires is comparable with the stiffness of Y-shaped carbon nanotubes.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Chernozatonskii L.A., Sorokin P.B., Kuzubov A.A., Kvashnin A.G., Kvashnin D.G., Avramov P.V., Yakobson B.I., Sorokin B.P.
Заглавие : Influence of Size Effect on the Electronic and Elastic Properties of Diamond Films with Nanometer Thickness
Место публикации : J. Phys. Chem. C. - 2011. - Vol. 115, Is. 1. - P.132-136. - JAN 13. - ISSN 1932-7447, DOI 10.1021/jp1080687
Примечания : Cited Reference Count: 37. - Гранты: L.A.C. was supported by the Russian Academy of Sciences, program No. 21 and by the Russian Foundation for Basic Research (project no. 08-02-01096). P.B.S. and B.I.Y. acknowledge support by the Office of Naval Research (MURI project). P.V.A. and P.B.S. also acknowledge the collaborative RFBR-JSPS grant no. 09-02-92107-R Phi. We are grateful to the Joint Supercomputer Center of the Russian Academy of Sciences for the possibility of using a cluster computer for quantum chemical calculations. The geometry of all presented structures was visualized by commercial Chem-Craft software.Финансирующая организация: Russian Academy of Sciences [21]; Russian Foundation for Basic Research [08-02-01096]; Office of Naval Research (MURI); RFBR-JSPS [09-02-92107-RPhi]
Предметные рубрики: REVERSIBLE HYDROGENATION
GRAPHENE
GRAPHANE
Atomic structure
Band gaps
Diamond nanocrystals
Elastic properties
Electronic band structure calculation
Energy stability
Experimental data
Hydrogen atoms
Nanometer thickness
Size effects
Theoretical result
Diamond films
Elasticity
Carbon films
Ключевые слова (''Своб.индексиров.''): atomic structure--band gaps--diamond nanocrystals--elastic properties--electronic band structure calculation--energy stability--experimental data--hydrogen atoms--nanometer thickness--size effects--theoretical result--diamond films--elasticity--carbon films
Аннотация: The atomic structure and physical properties of few-layered 111 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 111 layers. All theoretical results were compared with available experimental data.The atomic structure and physical properties of few-layered 〈111〉 oriented diamond nanocrystals (diamanes), covered by hydrogen atoms from both sides, are studied using electronic band structure calculations. It was shown that energy stability linearly increases upon increasing of the thickness of proposed structures. All 2D carbon films display direct dielectric band gaps with nonlinear quantum confinement response upon the thickness. Elastic properties of diamanes reveal complex dependence upon increasing of the number of 〈111〉 layers. All theoretical results were compared with available experimental data. © 2010 American Chemical Society.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Myagkov V. G., Tambasov I. A., Bayukov O. A., Zhigalov V. S., Bykova L. E., Mikhlin Yu. L., Volochaev M. N., Bondarenko G. N.
Заглавие : Solid state synthesis and characterization of ferromagnetic nanocomposite Fe-In2O3 thin films
Место публикации : J. Alloys Compd.: Elsevier Science, 2014. - Vol. 612. - P.189-194. - ISSN 0925-8388, DOI 10.1016/j.jallcom.2014.05.176. - ISSN 1873-4669
Примечания : Cited References: 56
Предметные рубрики: HIGH-TEMPERATURE FERROMAGNETISM
PHASE-FORMATION
In2O
OXIDE
NANOPARTICLES
CO
SEMICONDUCTORS
NANOCRYSTALS
COMBUSTION
SYSTEMS
Ключевые слова (''Своб.индексиров.''): thermite reactions--reactive films--ferromagnetic nanocomposite films--transparent conducting oxides
Аннотация: We have successfully synthesized ferromagnetic Fe-In2O 3 nanocomposite thin films for the first time using the thermite reaction Fe2O3 + In = In2O3 + Fe. The initial In/Fe2O3 bilayers were obtained by the deposition of In layers on α-Fe2O3 films. The reaction occurs in a self-propagating mode in a homogeneous thermal film plane field at heating rates above 20 K/s and at temperatures above initiation temperature T[[d]]in[[/d]] ~ 180 °C. At heating rates lower than 20 K/s the mixing of the In and Fe2O3 layers occurs across the whole In/Fe2O3 interface and the synthesis of the ferromagnetic α-Fe phase starts above the initiation temperature T[[d]]in[[/d]] = 180 °C. X-ray diffraction, X-ray photoelectron spectroscopy, Mossbauer spectroscopy, transmission electron microscopy and magnetic measurements were used for phase identification and microstructure observation of the synthesized Fe-In2O3 samples. The reaction products contain (1 1 0) textured α-Fe nanocrystals with a diameter around 100 nm and surrounded by an In2O3 matrix. These results enable new efficient low-temperature methods for synthesizing ferromagnetic nanocomposite films containing ferromagnetic nanoclusters embedded in transparent conducting oxides. © 2014 Elsevier B.V. All rights reserved.
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Вид документа : Статья из сборника (однотомник)
Шифр издания :
Автор(ы) : Pankrats A. I., Vorotynov A. M., Tugarinov V. I., Zharkov S. M., Abramova G. M., Zeer G. M., Gupta A., Ramasamy K.
Заглавие : Magnetic resonance in CuCr2S4 nanoclusters and nanocrystals
Коллективы : Moscow International Symposium on Magnetism, Московский государственный университет им. М.В. Ломоносова
Место публикации : Moscow Int. Symp. on Magnet. (MISM-2014): Book of abstracts. - 2014. - Ст.2PO-I1-9. - P.752. - ISBN 978-5-91978-025-0
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10.

Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Pankrats A. I., Vorotynov A. M., Tugarinov V. I., Zharkov S. M., Velikanov D. A., Abramova G. M., Zeer G. M., Ramasamy K., Gupta A.
Заглавие : Structural and magnetic resonance investigations of CuCr2S4 nanoclusters and nanocrystals
Коллективы : Grant CRDF-SB RAS "New Nano-size and Layered Cu-containing Sulphides for Electronics" [RUP1-7054-KR-11, 16854]; Ministry of education and science of the Russian Federation
Место публикации : J. Appl. Phys.: American Institute of Physics, 2014. - Vol. 116, Is. 5. - Ст.54302. - ISSN 0021-8979, DOI 10.1063/1.4891993. - ISSN 1089-7550
Примечания : Cited References: 26. - The work was supported by a Grant CRDF-SB RAS "New Nano-size and Layered Cu-containing Sulphides for Electronics" RUP1-7054-KR-11, N 16854. S.M.Z. acknowledges support from the Ministry of education and science of the Russian Federation (in the framework of the state assignment for SFU for 2014).
Предметные рубрики: SUPERPARAMAGNETIC RESONANCE
NANOPARTICLES
GLASS
BIOMEDICINE
PARTICLES
SPINELS
Аннотация: Nanoclusters and nanocrystals of the room temperature magnetic spinel CuCr2S4 synthesized using a facile solution-based method have been examined by transmission electron microscopy, magnetic measurements, and magnetic resonance over a wide frequency range 9.6–80 GHz and at temperatures down to 4.2 K. Decreasing of the resonance field and broadening of the resonance lines below 50 K for both samples are due to the freezing of magnetic moments of nanocubes and nanocrystalline particles constituting nanoclusters. The effective fields of averaged magnetic anisotropy (HA)≌2.4 kOe are similar for both nanopowder samples as estimated from resonance measurements at T = 4.2 K. An additional blocking temperature T b ≅ 300 K appears in nanoclusters due to freezing of the magnetic moment of the entire cluster as a whole. Below this blocking temperature, the magnetic dipolar field acting in boundary areas of interacting constituent nanocrystals is responsible for the additional low-field resonance line observed in the resonance spectra of nanoclusters at X-band.
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