Fig. 3

Calculated spatial distributions of charge for a Si-DB//. a PDOS curves at the two Si-DB// and the As atom (recall from Fig. 2) for three selected energy windows W1–W3. b–g Spin-up (brown) and spin-down (blue) local density of state (LDOS) isosurfaces on the silicon slab for the three energy windows W1–W3. The chosen section of the slab is represented with blue and white balls as Si and H atoms, respectively. h–j Cross-sectional plot of the partial LDOS along the AA, BB, and CC axes defined by the red lines in c and e