Figure 1

Equilibrium geometry and band structure calculations of substitutional chlorine in the neutral charge state. (a) ClTe, and (b) ClCd. The dashed line indicates the Fermi energy. Charge density isosurface of the impurity level (c2) of ClTe and ClCd are plotted for ρ = 0.001 and 0.005 e/Å3, respectively. Violet, brown, and green balls represent Cd, Te, and Cl atoms, respectively.