The main goal is to compute the band structure for twisted bilayer graphene, in order to explore the behavior at, so called, magic angles of relative rotation, that lead to superconductive and Mott-like insulating states.
This repository contains Python scripts that compute the band structure for different graphene structures:
- graphene monolayer;
- graphene bilayer, AB stacking;
- graphene bilayer, with any relative rotation angle.
The code depends on ASE and GPAW for the DFT calculations.
The report.pdf file is the final report for the exam that originated this project, it is not meant to be a detailed scientific paper but an overview of the short project.
It was created using LaTeX, I can provide the sources on request.