Unveiling the potential of CuAlxGa1−xSe2 (x = 0.25) chalcopyrite as absorbent for photovoltaic application: first-principles insights into the structural, elastic, mechanical, electronic, thermodynamic and optical properties
Soufyane Belhachi,
Mohammed Benali Kanoun,
Souraya Goumri-Said
Abstract:This study explores the structural, elastic, mechanical, electronic, and optical properties of CuAlxGa1−xSe2 (x = 0.25) chalcopyrite, a crucial material in photovoltaic cells. Utilizing type II-IV-V2 chalcopyrite, widely employed in high-efficiency solar cell production, we employ first-principles calculations with Tran–Blaha-modified Becke–Johnson exchange potential techniques. We aim to determine the band gap and optical properties to understand the compound’s morphology, crucial for solar cell development. … Show more
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