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Updated: Apr 1, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Curvature effects in the band structure of carbon nanotubes including spin-orbit coupling
Hong Liu1, Dirk Heinze, Huynh Thanh Duc
1Department Physik and CeOPP, Universität Paderborn, D-33098 Paderborn, Germany. Physics Department, Nanjing Normal University, Nanjing 210046, People's Republic of China.
Abstract:
The Kane-Mele model was previously used to describe effective spin-orbit couplings (SOCs) in graphene. Here we extend this model and also incorporate curvature effects to analyze the combined influence of SOC and curvature on the band structure of carbon nanotubes (CNTs). The extended model then reproduces the chirality-dependent asymmetric electron-hole splitting for semiconducting CNTs and in the band structure for metallic CNTs shows an opening of the band gap and a change of the Fermi wave vector with spin. For chiral semiconducting CNTs with large chiral angle we show that the spin-splitting configuration of bands near the Fermi energy depends on the value of mod(2n + m, 3).
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