Ideal Strength of Doped Graphene

Abstract

While the mechanical distortions change the electronic properties of graphene significantly, the effects of electronic manipulation on its mechanical properties have not been known. Using first-principles calculation methods, we show that, when graphene expands isotropically under equibiaxial strain, both the electron and hole doping can maintain or improve its ideal strength slightly and enhance the critical breaking strain dramatically. Contrary to the isotropic expansions, the electron doping decreases the ideal strength as well as critical strain of uniaxially strained graphene while the hole doping increases the both. Distinct failure mechanisms depending on type of strains are shown to be origins of the different doping induced mechanical stabilities. Our findings may resolve a contradiction between recent experimental and theoretical results on the strength of graphene.

published version; two more references are added

References in corpus (17)

• Electric Field Effect in Atomically Thin Carbon Films
• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Phonons and related properties of extended systems from density-functional perturbation theory
• Energy gaps, topological insulator state and zero-field quantum Hall effect in graphene by strain engineering
• A tight-binding approach to uniaxial strain in graphene
• All-graphene integrated circuits via strain engineering
• Gauge fields in graphene
• Controlling electron-phonon interactions in graphene at ultra high carrier densities
• Kohn Anomalies and Electron-Phonon Interaction in Graphite
• Anomalous Strength Characteristics of Tilt Grain Boundaries in Graphene
• Effects of Strain on Electronic Properties of Graphene
• Tilted anisotropic Dirac cones in quinoid-type graphene and alpha-(BEDT-TTF)_2I_3
• Impact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite
• Doped graphane: a prototype high-Tc electron-phonon superconductor
• Failure mechanisms of graphene under tension
• Electronic Strengthening of Graphene by Charge Doping
• Band gap opening by two-dimensional manifestation of Peierls instability in graphene

Cited by in corpus (3)

• Strain effects on monolayer MoSi2N4: ideal strength and failure mechanism
• Ideal strength and phonon instability of strained monolayer materials
• Ultra-high mechanical stretchability and controllable topological phase transitions in two-dimensional arsenic