please help me to choose the best source and theoretically calculate band structure for 2Dmaterials( graphene, MoS2,...)?
thanks a lot.
Look for all Ferrari's papers.
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.97.187401
There are many database that contains 2D materials band structure (among other properties). For instance the C2DB
https://cmr.fysik.dtu.dk/c2db/c2db.html
Quantum ESPRESSO works well.
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