Chalcogenides-based quantum dots: Optical investigation using first-principles calculations

被引：64
作者：
Al-Douri, Y. [1 ,2 ]
Khachai, H. [3 ]
Khenata, R. [4 ,5 ]
机构：
[1] Univ Malaysia Perlis, Inst Nano Elect Engn, Kangar 01000, Perlis, Malaysia
[2] Univ Djillali Liabes Sidi Bel Abbes, Fac Sci, Dept Phys, Sidi Bel Abbes 22000, Algeria
[3] Djilali Liabes Univ, Lab Etude Mat & Instrumentat Opt, Djilali 22000, Algeria
[4] Univ Mascara, Lab Phys Quant & Modelisat Math LPQ3M, Mascara 29000, Algeria
[5] King Saud Univ, Fac Sci, Dept Phys & Astron, Riyadh 11451, Saudi Arabia
来源：
MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING | 2015年 / 39卷
关键词：
Quantum dot; Chalcogenides; Optical properties; GENERALIZED GRADIENT APPROXIMATION; REFRACTIVE-INDEX; LEAD CHALCOGENIDES; AB-INITIO; SEMICONDUCTORS; PRESSURE; TEMPERATURE; DEPENDENCE; TELLURIDE; MATRIX;
D O I：
10.1016/j.mssp.2015.05.016
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
The full potential-linearized augmented plane wave (FP-LAPW) method is implemented in WIEN2K code to calculate the indirect energy gap (Gamma-X) using density functional theory (OFT). 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-xTex) 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. (C) 2015 Elsevier Ltd. All rights reserved.
引用
收藏
页码：276 / 282
页数：7
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