Figure 3
Equilibrium geometry and band structure calculations of the complexes (a) (ClTe-VCd) (Cs), and (b) (ClTe-VCd)(C3v) in the neutral charge state. The dashed line indicates the Fermi energy. Charge density isosurfaces for the impurity level (c2) in (a) and the level at VBM (v1) in (b) are plotted for ρ = 0.005 e/Å3 and ρ = 0.001 e/Å3, respectively.
