Many-body effects on the electronic and optical properties of strained semiconducting carbon nanotubes

Abstract

We present many-body \textit{ab initio} calculations of the electronic and optical properties of semiconducting zigzag carbon nanotubes under uniaxial strain. The GW approach is utilized to obtain the quasiparticle bandgaps and is combined with the Bethe-Salpeter equation to obtain the optical absorption spectrum. We find that the dependence of the electronic bandgaps on strain is more complex than previously predicted based on tight-binding models or density-functional theory. In addition, we show that the exciton energy and exciton binding energy depend significantly on strain, with variations of tens of meVs per percent strain, but that despite these strong changes the absorbance is found to be nearly independent of strain. Our results provide new guidance for the understanding and design of optomechanical systems based on carbon nanotubes.

To appear in Physical Review B

References in corpus (4)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Quasiparticle band structures and optical properties of strained monolayer MoS2 and WS2
• Truncation of Periodic Image Interactions for Confined Systems
• Electron-electron interaction effects on optical excitations in semiconducting single-walled carbon nanotubes

Cited by in corpus (3)

• Opening band gaps of low-dimensional materials at the meta-GGA level of density functional approximations
• Electronic and optical gap renormalization in carbon nanotubes near a metallic surface
• Strain and screening: Optical properties of a small-diameter carbon nanotube from first principles