Mobility of vacancies under deformation and their effect on the elastic properties of graphene

Journal Article · Sun May 15 00:00:00 EDT 2011 · Journal of Experimental and Theoretical Physics

DOI:https://doi.org/10.1134/S1063776111040042· OSTI ID:22028077

Fedorov, D A ^[1]; Popov, Z I ^[2]; Anan'eva, Yu E; Eliseeva, N S ^[1]; Kuzubov, A A ^[2]

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1. Siberian Federal University (Russian Federation)
2. Russian Academy of Sciences, Kirensky Institute of Physics, Siberian Branch (Russian Federation)

The effect of isolated vacancies on the elastic properties of a graphene sheet has been investigated by the ab initio density functional method. An almost inverse linear dependence of the Young's modulus on the concentration of vacancies has been revealed. The height of potential barriers for the motion of vacancies in various directions has been calculated as a function of various independent applied strains. The velocity of vacancies at various temperatures has been calculated as a function of applied strains using the transition state theory.

• OSTI ID: 22028077
• Journal Information: Journal of Experimental and Theoretical Physics, Vol. 112, Issue 5; Other Information: Copyright (c) 2011 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7761
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
77 NANOSCIENCE AND NANOTECHNOLOGY
CONCENTRATION RATIO
DEFORMATION
DENSITY FUNCTIONAL METHOD
ELASTICITY
GRAPHITE
MOBILITY
NANOSTRUCTURES
STRAINS
VACANCIES
YOUNG MODULUS