Numerical package for QFT calculations of defect-induced phenomena in graphene

Abstract

We introduce a computationally efficient method based on the path integral formalism to describe defect-modified graphene. By taking into account the entire Brillouin zone, our approach respects the lattice symmetry and can be used to investigate both short-range and long-range effects. The proposed method’s key advantage is that the computational complexity does not increase with the system size, scaling, instead, with the number of defects. Our aim is to make the quantum-field calculations in graphene accessible to the experimental community. We demonstrate our method’s capabilities by exploring the well-known graphene-mediated RKKY interaction and by performing a detailed study of the atomic collapse in the presence of defects.