Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch

DOI10.1177/1081286520961831OpenAlexW3104472409MaRDI QIDQ4992814

Timothy Breitzman, Kaushik Dayal, Soumya Mukherjee, Hossein Pourmatin, Y. Wang

Publication date: 10 June 2021

Published in: Mathematics and Mechanics of Solids (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/2009.03805

zbMATH Keywords

electronic structureelectromechanicsnanotubesmultiscale mechanicsobjective structures

Mathematics Subject Classification ID

Mechanics of deformable solids (74-XX)

Uses Software

• SPARC

Cites Work

• Nonequilibrium molecular dynamics for bulk materials and nanostructures
• Objective molecular dynamics
• A perfectly matched layer for the absorption of electromagnetic waves
• SPARC: accurate and efficient finite-difference formulation and parallel implementation of density functional theory: isolated clusters
• Multiscale real-space quantum-mechanical tight-binding calculations of electronic structure in crystals with defects using perfectly matched layers
• An atomistic and non-classical continuum field theoretic perspective of elastic interactions between defects (force dipoles) of various symmetries and application to graphene
• Objective structures
• Modeling Materials
• Perfectly matched layers for transient elastodynamics of unbounded domains
• Electronic Structure
• The Band Theory of Graphite

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