Figure 9
Equilibrium geometry and band structure calculations of (a) the TeCd antisite, and (b) the ClTe-TeCd complex, in the neutral charge state. The dashed line indicates the Fermi energy. Charge density isosurfaces of the occupied level in the band gap (v1) in (a) and the VBM level (v1) in (b) are plotted for ρ = 0.005 e/Å3 and ρ = 0.001 e/Å3, respectively.
