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Résumé
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.
langue originale | Anglais |
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Numéro d'article | 485703 |
journal | Journal of physics. Condensed matter |
Volume | 35 |
Numéro de publication | 48 |
Les DOIs | |
Etat de la publication | Publié - 6 sept. 2023 |
Empreinte digitale
Examiner les sujets de recherche de « Correlation effects on topological end-states in finite-size graphene nanoribbons in the GW approximation ». Ensemble, ils forment une empreinte digitale unique.Projets
- 2 Terminé
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ACTOP-NOMENA: Modification active des propriétés optiques des nano-particules nonmetalliques
Honet, A. (Responsable du Projet) & Henrard, L. (Promoteur)
1/10/21 → 30/09/23
Projet: Recherche
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CÉCI – Consortium des Équipements de Calcul Intensif
CHAMPAGNE, B. (Responsable du Projet), Lazzaroni, R. (Responsable du Projet), Geuzaine , C. (Co-investigateur), Chatelain, P. (Co-investigateur) & Knaepen, B. (Co-investigateur)
1/01/18 → 31/12/22
Projet: Recherche
Équipement
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Plateforme Technologique Calcul Intensif
Champagne, B. (!!Manager)
Plateforme technologique Calcul intensifEquipement/installations: Plateforme technolgique