Elastic and plastic deformation of graphene, silicene, and boron nitride honeycomb nanoribbons under uniaxial tension: A first-principles density-functional theory study
By M. Topsakal, S. Ciraci. 2009
211 citations recorded by the source corpus.
Department of Physics, Bilkent University Ankara 06800, Turkey(Dated: January 26, 2010)This study of elastic and plastic deformation of graphene, silicene and boron nitride (BN) honey-comb nanoribbons under uniaxial tension determines their elastic constants and reveals interestingfeatures. In the course of stretching in the elastic range, the electronic and magnetic properties canbe strongly modi ed. In particular, it is shown that the band gap of a speci c armchair nanoribbonis closed under strain and highest valance and lowest conduction bands are linearized. This way,the massless Dirac fermion behavior can be attained even in a semiconducting nanoribbon. Un-der plastic deformation, the honeycomb structure changes irreversibly and o ers a number of newstructures and functionalities. Cage like structures, even suspended atomic chains can be derivedbetween two honeycomb akes. Present work elaborates on the recent experiments by Jin et al.,Phys. Rev. Lett. 102, 205501 (2009) deriving carbon chains from graphene. Furthermore, thesimilar formations of atomic chains from BN and Si nanoribbons are predicted.
Subfields: Electrical and Electronic Engineering, Materials Chemistry
View Paper: https://www.semanticscholar.org/paper/48c9a3ccb08c567c90f3d92db1334cffa0512260
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Citations in the corpus
- Atomistic simulation and continuum modeling of graphene nanoribbons under uniaxial tension (2011, methodology): “A similar chain formation was observed in experiments [44] and in a first-principles study [16].”