Atomistic modeling of single and double moire patterned graphene and hexagonal boron nitride multilayer systems
The physics of moire materials has emerged as an attractive research topic in condensed matter physics thanks to the possibility of tailoring narrow bandwidth topological band systems prone to strong correlations. In this talk we present efforts from our research group to develop the theoretical and computational framework to improve the predictive accuracy of twisted and untwisted rhombohedral multilayer graphene interfaced with hexagonal boron nitride as prototypical examples where one can generate precursor states leading to orbital magnetism observed in experiments. We discuss the sensitive role of alignment and sliding geometries and relaxation effects in the resulting electronic structure in a few representative moire multilayer systems.