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In recent years, the inorganic lead-based perovskites have significant consideration owing to their excellent structural stability. In this work, we explore the structural, electronic, and optical properties of α-CsPbI 3  and Ge-incorporated α-CsPbI 3  perovskites through first-principle calculations. The 12.5% of Ge-mixed CsPbI 3  has pleasant structural stability compared to CsPbI 3 . The CsPb (1-x) Ge x I 3  band gap is linearly decreased while increasing Ge concentration, and it varied from 1.45 to 1.12 eV. Besides, Ge doped CsPbI 3  perovskites have a more substantial absorption coefficient in the visible regions. This result reveals, the Ge-incorporation on the B-site location enhanced structural stability and optical absorption coefficient of CsPbI 3 .

Structural, Electronic and Optical Properties of Inorganic Perovskite CsPb(1-x)GexI3: A First Principle Approach