Wavepackets in Graphene

Douglas Mason, Harvard University

Attempts by theorists to model and simulate graphene-based nanostructures are limited on one end by the tight-binding model, which permits calculations only on extremely small systems, and the Dirac model, which permits the study of larger structures at the loss of spatial resolution and accuracy. In our efforts to calculate boundary conditions for scatterers and cuts along the graphene edge that bridge the two models, we have developed a tool that maps the honeycomb lattice onto the rectangular fast Fourier transform. We will present the foundations for this tool and demonstrate its use on a number of common problems in graphene, specifically focusing on wavepacket analysis.

Abstract Author(s): D. Mason, E. Heller