Fig. 5: The electronic structure prediction for the twisted bilayer MoS2 with a Moiré angle of 3.5°.
From: Transferable equivariant graph neural networks for the Hamiltonians of molecules and solids
a Comparison of the energy bands predicted by HamGNN and those calculated by OpenMX for the Moiré twisted bilayer MoS2. b The spatial distribution of VBM wave function in the Moiré twisted bilayer MoS2.
