Projects per year
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.
Original language | English |
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Article number | 485703 |
Journal | Journal of physics. Condensed matter |
Volume | 35 |
Issue number | 48 |
DOIs | |
Publication status | Published - 6 Sept 2023 |
Keywords
- graphene nanoribbons
- Green’s function theory
- GW approximation
- Hubbard model
- mean-field approximation
- topological end states
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Dive into the research topics of 'Correlation effects on topological end-states in finite-size graphene nanoribbons in the GW approximation'. Together they form a unique fingerprint.Projects
- 2 Finished
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ACTOP-NOMENA: Active tuning of the optical properties of non-metallic nanoparticles
HONET, A. (PI) & Henrard, L. (Supervisor)
1/10/21 → 30/09/23
Project: Research
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CÉCI – Consortium of high performance computing centers
CHAMPAGNE, B. (PI), Lazzaroni, R. (PI), Geuzaine , C. (CoI), Chatelain, P. (CoI) & Knaepen, B. (CoI)
1/01/18 → 31/12/22
Project: Research
Equipment
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High Performance Computing Technology Platform
Champagne, B. (Manager)
Technological Platform High Performance ComputingFacility/equipment: Technological Platform