Zig-zag graphene nanoribbon bandgap

[jlmwilliam]

Dear Quantumwise staff

In recent research, it appears the zigzag graphene nanoribbon has a band gap.
How can I correctly reproduce the result?

[Jess Wellendorff]

You should investigate GNR band structure:
1) In Builder, the nanoribbon plugin to build a GNR.
2) In Scripter, set up a Calculator (DFT or semi-empirical), and also add Bandstructure analysis.
4) Run the calcualtion, e.g. using Job Manager.
5) On LabFloor, select the Bandstructure item and visualize it using Bandstructure Analyzer.

[Ulrik G. Vej-Hansen]

You may also consult some tutorials about graphene in general and graphene nanoribbons, where the latter specifically deals with the bandstructure of GNRs:

http://docs.quantumwise.com/tutorials/exploring_graphene.html

http://docs.quantumwise.com/tutorials/spin_bloch_gnr.html