Multi-scale approach for strain-engineering of phosphorene

Abstract

A multi-scale approach for the theoretical description of deformed phosphorene is presented. This approach combines a valence-force model to relate macroscopic strain to microscopic displacements of atoms and a tight-binding model with distance-dependent hopping parameters to obtain electronic properties. The resulting self-consistent electromechanical model is suitable for large-scale modeling of phosphorene devices. We demonstrate this for the case of an inhomogeneously deformed phosphorene drum, which may be used as an exciton funnel.

References in corpus (7)

• The Renaissance of Black Phosphorus
• Strain-Engineering Anisotropic Electrical Conductance of Phosphorene and Few-Layer Black Phosphorus
• Superior mechanical flexibility of phosphorene and few-layer black phosphorus
• Strain engineered direct-indirect band gap transition and its mechanism in 2D phosphorene
• Quasiparticle band structure and tight-binding model for single- and bilayer black phosphorus
• Lattice Vibrational Modes and Raman Scattering Spectra of Strained Phosphorene
• The electronic origin of shear-induced direct to indirect gap transition and anisotropy diminution in phosphorene

Cited by in corpus (9)

• Strain-modulated Bandgap and Piezo-resistive Effect in Black Phosphorus Field-effect Transistors
• Electronic Structure Theory of Strained Two-Dimensional Materials with Hexagonal Symmetry
• Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene
• Electron optics in phosphorene pn junctions: Negative reflection and anti super-Klein tunneling
• Phosphorene pnp junctions as perfect electron waveguides
• Straintronics in Phosphorene: Tensile vs Shear Strains and Their Combinations for Manipulating the Band Gap
• Controlling electric and magnetic Purcell effects in phosphorene via strain engineering
• Anisotropic resonance energy transfer with strained phosphorene
• Theory for strained graphene beyond the Cauchy-Born rule