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Termini effects on the optical properties of graphene nanoribbons

Claudia Cardoso1*, Andrea Ferretti1*, Deborah Prezzi1*

1 CNR-Nanoscience Institute, S3 Center, via G. Campi 213/a, 41125 Modena, Italy

* Corresponding authors emails: claudia.cardoso@nano.cnr.it, andrea.ferretti@nano.cnr.it, deborah.prezzi@nano.cnr.it
DOI10.24435/materialscloud:2019.0055/v1 [version v1]

Publication date: Oct 03, 2019

How to cite this record

Claudia Cardoso, Andrea Ferretti, Deborah Prezzi, Termini effects on the optical properties of graphene nanoribbons, Materials Cloud Archive 2019.0055/v1 (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.


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External references

Journal reference (Paper reporting of the results.)


DFT GW optical response graphene nano ribbons BSE

Version history:

2019.0055/v1 (version v1) [This version] Oct 03, 2019 DOI10.24435/materialscloud:2019.0055/v1