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Updated: Jul 18, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Correlation effects on topological end-states in finite-size graphene nanoribbons in the GW approximation
Antoine Honet1, Luc Henrard1, Vincent Meunier2
1Department of Physics and Namur Institute of Structured Materials, University of Namur, Rue de Bruxelles 51, Namur 5000, Belgium.
Abstract:
Finite size armchair graphene nanoribbons (GNRs) of different families are theoretically studied using the Hubbard model in both mean-field and GW approximations, including spin correlation effects. It is shown that correlation primarily affect the properties of topological end states of the nanoribbons. A representative structure of each of the three GNR families is considered but the seven-atom width nanoribbon is studied in detail and compared to previously published experimental results, showing a clear improvement when correlations are included. Using isolated spin contributions to scanning tunneling microscopy (STM) simulations, spin-polarized measurements in STM are also suggested to help distinguish and highlight correlation effects.
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