Exact diagonalization of Landau levels in Bernal graphite

The magneto-electronic structure of Bernal graphite is derived by the Peierls tight-binding model. Seven important atomic interactions are taken into account and the corresponding Hamiltonian matrix is rearranged as a band-like form for efficient calculation. The results derived from this exact diagonalization method demonstrate that interlayer interactions play remarkable roles in Landau level structures.

► We apply the exact diagonalization tight-binding model to this study. ► A band-like-matrix strategy is utilized to diagonalize the large matrix. ► Strong dependence of the interlayer interactions on the kzkz values is shown. ► The interlayer interactions strongly influence the Landau level (LL) features. ► The stacking configuration and periodicity along kzkz dominate the LL properties.