Fig. 5: Electronic structure analysis of vacancy defect.
From: Machine learning sparse tight-binding parameters for defects
a BS of the SLG double vacancy supercell along ΓMXΓ of both DFT calculation and MLP TB-model. b pz-projected density of states of the supercell. c Cosine similarity of the local density of states between different TB models and the DFT result. d LDOS at the three energies (left to right) indicated by veritcal dash-dotted gray lines in b and c for DFT, Wannier, MLP respectively (top to bottom, colored boxes match line colors in b and c).
