Figure 2
From: GeVn complexes for silicon-based room-temperature single-atom nanoelectronics
DFT electronic structure of the GeV defect obtained with different approximations for the exchange-correlation energy: (a) GGA (PBE) and (b) a hybrid functional. Red (solid) and blue (dot-dashed) lines and arrows identify the localized defect levels for the majority and minority spin components, respectively. The dashed line marks the Fermi level. Gray areas correspond to the bulk silicon bands. The residual k-dispersion of the impurity states is an artifact of the relatively small size of the supercell.
