Termini effects on the optical properties of graphene nanoribbons
- CNR-Nanoscience Institute, S3 Center, via G. Campi 213/a, 41125 Modena, Italy
DOI10.24435/materialscloud:2019.0055/v1 (version v1, submitted on 03 October 2019)
How to cite this entry
Claudia Cardoso, Andrea Ferretti, Deborah Prezzi, Termini effects on the optical properties of graphene nanoribbons, Materials Cloud Archive (2019), doi: 10.24435/materialscloud:2019.0055/v1.
First principles the optical response of finite-length armchair-edged graphene nanoribbons (AGNRs) within the framework of many-body perturbation theory. As a result of the explicit inclusion of zigzag extremities, we identify low-energy and low-intensity excitations that are expected to be almost independent of the GNR length. These excitations coexist with bulk-like excitations, which have the same origin as the ones characterizing infinite AGNRs. Our results are used to rationalize termini effects on the optical response of GNRs and to shed light on recent photoluminescence data.
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|571.6 KiB||paper (pdf file) and input (text files) and output (text files) files of the GW/BSE calculations performed with Yambo, and the DFT calculations performed with QUANTUM ESPRESSO, for a finite graphene nanoribbon.|
|293 Bytes||README file with the description of the contents and file format.|
03 October 2019 [This version]