NDLI: Computational study of copper–gallium disulphide-based solar cell devices by using CdS and ZnSe buffer layers

Content Provider	IET Digital Library
Author	Singh, Pravesh Gautam, Ruchita Sharma, Sheetal Kumari, Sarita Verma, Ajay Singh
Abstract	The authors have performed ab-initio calculations for the structural, electronic, optical, elastic and thermal properties of the copper–gallium disulphide (CuGaS2). The accurate full potential linearised augmented plane wave method was used to find the equilibrium structural parameters and to compute the full elastic tensors. They have reported electronic and optical properties with the recently developed density functional theory of Tran and Blaha. Furthermore, optical features such as dielectric functions, refractive indices, extinction coefficient, optical reflectivity, absorption coefficients and optical conductivities were calculated for photon energies up to 30 eV. The thermodynamical properties such as thermal expansion, heat capacity, Debye temperature, entropy and Grüneisen parameter, bulk modulus and hardness were calculated employing the quasi-harmonic Debye model at different temperatures (0–1200 K) and pressures (0–8 GPa) and the results are interpreted. Further, CuGaS2 solar cell devices have been modelled; device physics and performance parameters were analysed for CdS and ZnSe buffer layers. Simulation results for CuGaS2 thin layer solar cell show the maximum efficiency (20.5%) with ZnSe as the buffer layer. Most of the investigated parameters are reported for the first time.
Starting Page	294
Ending Page	303
Page Count	10
ISSN	17518822
Volume Number	8
e-ISSN	17518830
Issue Number	Issue 5, Sep (2014)
Alternate Webpage(s)	https://digital-library.theiet.org/content/journals/iet-smt/8/5
Alternate Webpage(s)	https://digital-library.theiet.org/content/journals/10.1049/iet-smt.2013.0168
Journal	IET Science, Measurement & Technology
Publisher Date	2014-03-27
Access Restriction	Open
Rights Holder	© The Institution of Engineering and Technology
Subject Keyword	Ab Initio Calculations Absorption Coefficient APW Calculations Buffer Layer Cadmium Compound Copper Compounds CuGaS2-CdS CuGaS2-ZnSe Debye Temperature Density Functional Theory Dielectric Function Elastic Moduli Elastic Property Elastic Tensor Computation Electronic Property Entropy Equilibrium Structural Parameter Extinction Coefficient Gallium Compound Gruneisen Coefficient Hardness II-VI SemiConductor Linearised Augmented Plane Wave Method Optical Conductivity Optical Feature Photoelectric Conversion Refractive Index Solar Cell And Array Specific Heat Structural Property Ternary SemiConductor Thermal Expansion Thermal Property Thermodynamical Property Thin Film Device Thin Layer Solar Cell Device Zinc Compound
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics Electrical and Electronic Engineering

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