Fundamental and transport properties of ZnX, CdX and HgX (XÂ = Â S, Se, Te) compounds

We have performed ab initio self-consistent calculations based on full potential linear augmented plane-wave method (FP-LAPW) with the local density approximation (LDA) and generalised gradient approximation (GGA) to investigate the relativistic effects on the structural, electronic, transport and optical properties of II-VI compounds. We mainly show that the stabilisation (destabilisation) of s, p*(p) orbital energies reduces the lattice parameters of II-VI compounds, the band gaps and the effective masses. This, however, induces strong spin-orbit splitting of heavier II-VI compounds.