Further optical properties of CdX (X = S, Te) compounds under quantum dot diameter effect: Ab initio method

For energy band calculations, the indirect energy gap (Γ − X) is calculated using density functional theory (DFT) of the full potential-linearized augmented plane wave (FP-LAPW) method as implemented in WIEN2K code. The Engel–Vosko generalized gradient approximation (EV-GGA) formalism is used to optimize the corresponding potential for energetic transition and optical properties calculations of CdS and CdTe as a function of quantum dot diameter and is used to test the validity of our model of quantum dot potential. The results are compared with others and showed reasonable agreement.

► Study and validate the recent quantum dot potential model of II–VI compounds using ab initio method. ► Analysis optical properties of QD’s II–VI compounds. ► Investigate refractive index and optical dielectric constant of QD’s II–VI compounds. ► Search the appropriate QD’s diameter for high technological applications.