Electronic Strengthening of Graphene by Charge Doping

Abstract

Graphene is known as the strongest 2D material in nature, yet we show that moderate charge doping of either electrons or holes can further enhance its ideal strength by up to ~17%, based on first principles calculations. This unusual electronic enhancement, versus conventional structural enhancement, of material's strength is achieved by an intriguing physical mechanism of charge doping counteracting on strain induced enhancement of Kohn anomaly, which leads to an overall stiffening of zone boundary K1 phonon mode whose softening under strain is responsible for graphene failure. Electrons and holes work in the same way due to the high electron-hole symmetry around the Dirac point of graphene, while over doping may weaken the graphene by softening other phonon modes. Our findings uncover another fascinating property of graphene with broad implications in graphene-based electromechanical devices.

11 pages, 4 figures

References in corpus (10)

• Electric Field Effect in Atomically Thin Carbon Films
• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• The electronic properties of graphene
• Adsorption of H2O, NH3, CO, NO2, and NO on graphene: A first-principles study
• Controlling electron-phonon interactions in graphene at ultra high carrier densities
• Non-adiabatic Kohn-anomaly in a doped graphene monolayer
• Atomic Hole Doping of Graphene
• Phonon dispersions and vibrational properties of monolayer, bilayer, and trilayer graphene
• Interplay of Coulomb and electron-phonon interactions in graphene
• Quantum Stress: Density Functional Theory Formulation and Physical Manifestation

Cited by in corpus (15)

• Functionalized Germanene as a Prototype of Large-Gap Two-Dimensional Topological Insulators
• Electron-Phonon Coupling in Two-Dimensional Silicene and Germanene
• Electrical band flattening, valley flux, and superconductivity in twisted trilayer graphene
• Ideal strength and phonon instability of strained monolayer materials
• Insight into Two-Dimensional Borophene: Five-Center Bond and Phonon-Mediated Superconductivity
• Avoiding critical-point phonon instabilities in two-dimensional materials: The origin of the stripe formation in epitaxial silicene
• Raman spectrum of 1T'-WTe2 under tensile strain: A first-principles prediction
• Ideal Strength of Doped Graphene
• Tuning Fe Nucleation Density with Charge Doping of Graphene Substrate
• Kohn anomaly of optical zone boundary phonons in uniaxial strained graphene: role of the electronic band structure
• Valley-antisymmetric potential in graphene under dynamical deformation
• Ultra-high mechanical stretchability and controllable topological phase transitions in two-dimensional arsenic
• 2D clathrate graphene in minimum egg-tray-shape: An \textit{ab initio} study
• Metamorphosis in Carbon Network: From Penta-Graphene to Biphenylene under Uniaxial Tension
• Quantifying proximity-induced superconductivity from first-principles calculations