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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Fedorov A. S., Popov Z. I., Fedorov D. A., Eliseeva N. S., Serjantova M. V., Kuzubov A. A.
Заглавие : DFT investigation of the influence of ordered vacancies on elastic and magnetic properties of graphene and graphene-like SiC and BN structures
Место публикации : Phys. Status Solidi B. - 2012. - Vol. 249, Is. 12. - P.2549-2552. - ISSN 0370-1972, DOI 10.1002/pssb.201200105
Примечания : Cited References: 32. - The work was supported by The Ministry of education and science of Russia, project 14.B37.21.0163. The authors express their gratitude to the Joint Supercomputer Center, Russian Academy of Sciences, Moscow and the supercomputer center of the Moscow State University (SKIF-MGU) for the possibility of using their computer clusters to perform all calculations.
Предметные рубрики: WALLED CARBON NANOTUBES
INITIO MOLECULAR-DYNAMICS
AB-INITIO
DEFECTS
STATE
MONOLAYER
POINTS
Ключевые слова (''Своб.индексиров.''): boron nitride--carbon silicide--elastic properties--graphene--magnetic properties--vacancies
Аннотация: Influence of ordered monovacancies on elastic properties of graphene is theoretically investigated by density functional theory (DFT) calculations. Inverse linear dependence of the graphene Young's modulus on the concentration of vacancies has been revealed and migration rate of the vacancies has been calculated as a function of applied strain. It is shown that the migration rate can be controlled by applying various strains or temperatures. The influence of ordered monovacancies on magnetic properties of graphene as well as graphene-like hexagonal carbon silicide (2D-SiC) and the boron nitride (h-BN) structures is investigated. It is established that the presence of vacancies in all systems yields the appearance of local magnetic moment. However, in 2D-SiC structure the magnetic moment occurs only in the case of a Si vacancy. Influence of the distance between vacancies on the ferromagnetic or anti-ferromagnetic ordering for all structures is established. (C) 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Kuzubov A. A., Serzhantova M. V., Fedorov A. S., Tomilin F. N., Kozhevnikova T. A.
Заглавие : Theoretical Study of Vacancies and Adatoms in White Graphene
Разночтения заглавия :авие SCOPUS: Theoretical study of vacancies and adatoms in white graphene
Место публикации : JETP Letters. - 2011. - Vol. 93, Is. 6. - P.335-338. - ISSN 0021-3640, DOI 10.1134/S0021364011060051
Примечания : Cited References: 35
Предметные рубрики: HEXAGONAL BORON-NITRIDE
INITIO MOLECULAR-DYNAMICS
BRILLOUIN LIGHT-SCATTERING
BN NANOTUBES
AB-INITIO
ELASTIC PROPERTIES
MONOLAYER
GRAPHITE
COMPRESSION
TRANSITION
Аннотация: The stability of the B and N atomic vacancies and divacancies in an h-BN monolayer deformed by 2 and 4% along one of the axes has been investigated. It has been established that the N atomic vacancies are most stable; their concentration is insignificant and does not affect the properties of white graphene. The number of vacancies depends on the mobility of N and B atoms on the layer surface; therefore, the probability of recombination with the vacancies has been estimated. It has been revealed that the energy barrier for the migration of the B and N adatoms is about 0.23 and 1.23 eV, respectively. In view of such a low barrier for the B adatom, this type of adatoms will quite rapidly move over the surface and recombine with vacancies, in contrast to the N adatoms. Therefore, only nitrogen atom vacancies can exist in the h-BN monolayer grown by the methods, where the adatoms could possibly appear on the surface.
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Вид документа : Статья из журнала
Шифр издания :
Автор(ы) : Barannik A. V., Shabanov A. V., Zyryanov V. Y.
Заглавие : Interference oscillations in the dynamics of the optical response of polymer dispersed nematic liquid crystals
Место публикации : Tech. Phys. Lett.: AMER INST PHYSICS, 2002. - Vol. 28, Is. 8. - P675-677. - ISSN 1063-7850, DOI 10.1134/1.1505547
Примечания : Cited References: 14
Предметные рубрики: REORIENTATION
MONOLAYER
Аннотация: The dynamics of the optical response of a polymer-dispersed nematic liquid crystal under the action of electric field pulses was experimentally studied for film samples differing in the size of nematic droplets. The optical signal relaxation curve exhibits an oscillating character, with the number of oscillations determined by the transverse size of the nematic droplets. The interference character of the signal oscillations is confirmed by an analysis of the oscillating response within the framework of the anomalous diffraction approximation and by a comparison with the dependence of the transmitted light intensity on the applied voltage measured in a static regime. (C) 2002 MAIK "Nauka / Interperiodica".
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