A General Many-Body Perturbation Framework for Moiré Systems: Application to Rhombohedral Pentalayer Graphene/hBN Heterostructures
Xin Lu, Yuanfan Yang, Zhongqing Guo, Jianpeng Liu
Published: 2025/9/24
Abstract
Moir\'e superlattices host a rich variety of correlated topological states, including interaction-driven integer and fractional Chern insulators. A common approach to study interacting ground states at integer fillings is the Hartree-Fock mean-field method. However, this method neglects dynamical correlations, which often leads to an overestimation of spontaneous symmetry breaking and fails to provide quantitative descriptions of single-particle excitations. This work introduces a general many-body perturbation framework for moir\'e systems, combining all-band Hartree-Fock calculations with random phase approximation (RPA) correlation energies and $GW$ quasiparticle corrections. We apply this framework to moir\'e superlattice consisted of rhombohedral pentalayer graphene aligned with hexagonal boron nitride. Our all-band Hartree-Fock calculations, which include all plane-wave components up to the high-energy cutoff of the continuum model, reveal a phase diagram at moir\'e filling $\nu=1$ that qualitatively aligns with experimental measurements. Incorporating RPA correlation energy further yields quantitative agreement with the evolution of transport properties across electric fields. The $GW$ quasiparticle bands exhibit significantly reduced gaps and bandwidths compared to Hartree-Fock results, while quasiparticle weights close to unity indicate that the ground state is well-described by a Slater determinant, justifying the qualitative effectiveness of mean-field approaches for integer fillings in this system. Our versatile framework provides a systematic beyond-mean-field approach applicable to generic moir\'e systems.