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Pis'ma v Zhurnal Èksperimental'noi i Teoreticheskoi Fiziki, 2011, Volume 93, Issue 6, Pages 368–371
(Mi jetpl1860)
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This article is cited in 11 scientific papers (total in 11 papers)
CONDENSED MATTER
Theoretical study of vacancies and adatoms in white graphene
A. A. Kuzubovab, M. V. Serzhantovaac, A. S. Fedorovb, F. N. Tomilinb, T. A. Kozhevnikovaab a Siberian Federal University, Krasnoyarsk
b L. V. Kirensky Institute of Physics, Siberian Branch of the Russian Academy of Sciences
c M. F. Reshetnev Siberian State Aerospace University
Abstract:
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.
Received: 25.01.2011 Revised: 11.02.2011
Citation:
A. A. Kuzubov, M. V. Serzhantova, A. S. Fedorov, F. N. Tomilin, T. A. Kozhevnikova, “Theoretical study of vacancies and adatoms in white graphene”, Pis'ma v Zh. Èksper. Teoret. Fiz., 93:6 (2011), 368–371; JETP Letters, 93:6 (2011), 335–338
Linking options:
https://www.mathnet.ru/eng/jetpl1860 https://www.mathnet.ru/eng/jetpl/v93/i6/p368
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