Fig. 4: The electronic structure prediction on silicon dislocation.
From: Transferable equivariant graph neural networks for the Hamiltonians of molecules and solids
a Atomic structure and charge density of the valence band maximum (VBM) of an isolated dislocation in silicon. The atoms on the dislocation plane are colored red. b The energy bands of the dislocation model along G(0.0, 0.0, 0.0) to Z(0.0, 0.0, 0.5).
