Chalcogenides-based quantum dots: Optical investigation using first-principles calculations. (November 2015)

• Record Type: Journal Article
• Authors: Al-Douri, Y.; Khachai, H.; Khenata, R.
• Is Part Of: Materials science in semiconductor processing. Volume 39(2015:Nov.)
• Page Start: 276
• Page End: 282
• Publication Date: 2015-11
• Subjects: 81.07.Ta -- 77.84.Bw -- 78.66.Hf; Quantum dot -- Chalcogenides -- Optical properties; Semiconductors -- Periodicals; Integrated circuits -- Materials -- Periodicals; Semiconducteurs -- Périodiques; Circuits intégrés -- Matériaux -- Périodiques; Electronic journals; 621.38152
• DOI: 10.1016/j.mssp.2015.05.016
• Languages: English
• ISSNs: 1369-8001

Abstract

Abstract: The full potential-linearized augmented plane wave (FP-LAPW) method is implemented in WIEN2K code to calculate the indirect energy gap (Γ–X) using density functional theory (DFT). The Engel–Vosko generalized gradient approximation (EV-GGA) and modified Becke Johnson (mBJ) formalisms are used to optimize the corresponding potential for energetic transition and optical properties calculations of lead chalcogenides (PbS1− x Te x ) alloys as a function of quantum dot diameter and is used to test the validity of our model of quantum dot potential. The refractive index and optical dielectric constant are investigated to explore best applications for solar cells.