Ab initio method of optical investigations of CdS1-xTex alloys under quantum dots diameter effect

被引:54
作者
Al-Douri, Y. [1 ,2 ]
Hashim, U. [1 ]
Khenata, R. [3 ,4 ]
Reshak, A. H. [5 ,6 ]
Ameri, M. [7 ]
Bouhemadou, A. [8 ]
Ruslinda, A. Rahim [1 ]
Arshad, M. K. Md [1 ]
机构
[1] Univ Malaysia Perlis, Inst Nano Elect Engn, Perlis 01000, Kangar, Malaysia
[2] Univ Djillali Liabes Sidi Bel Abbes, Fac Sci, Dept Phys, Sidi Bel Abbes 22000, Algeria
[3] Univ Mascara, Lab Phys Quant & Modelisat Math LPQ3M, Mascara 29000, Algeria
[4] King Saud Univ, Fac Sci, Dept Phys & Astron, Riyadh 11451, Saudi Arabia
[5] Univ W Bohemia, New Technol Res Ctr, Plzen 30614, Czech Republic
[6] Univ Malaysia Perlis, Sch Mat Engn, Ctr Excellence Geopolymer & Green Technol, Kangar 01007, Perlis, Malaysia
[7] Univ Djillali Liabes Sidi Bel Abbes, Dept Phys, Sidi Bel Abbes 22000, Algeria
[8] Univ Setif, Fac Sci, Dept Phys, Lab Dev New Mat & Their Characterizat, Setif 19000, Algeria
关键词
Quantum dot potential; Alloys; Optical properties; GENERALIZED GRADIENT APPROXIMATION; SENSITIZED SOLAR-CELLS; REFRACTIVE-INDEX; SEMICONDUCTORS; GAP; TEMPERATURE; DEPENDENCE;
D O I
10.1016/j.solener.2015.02.024
中图分类号
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号
0807 ; 0820 ;
摘要
The indirect energy gap (Gamma-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 CdS1-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:33 / 39
页数:7
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