Figure 6
Equilibrium geometry and band structure calculations of the neutral 2ClTe-VCd complex in the two stable configurations (a) with Te atoms separated, and (b) with the Te atoms forming a dimer. The dashed line indicates the Fermi energy. Charge density isosurfaces for the level at the VBM (v1) in (a) and the impurity level (c2) in (b) are plotted for ρ = 0.001 e/Å3 and ρ = 0.005 e/Å3, respectively.
