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Density Functional Theory Analysis of Structural, Electronic, and Optical Properties of Mixed-Halide Orthorhombic Inorganic Perovskites

Hamid M. GhaithanPhysics and Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaZ.A. AlahmedPhysics and Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaSaif M. H. QaidPhysics and Astronomy Department, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi ArabiaAbdullah S. AldwayyanK.A.CARE Energy Research and Innovation Center at Riyadh, P.O. Box 2022, Riyadh 11454, Saudi Arabia
2021en
ABI

Аннотация

, respectively. The calculated photoabsorption coefficients show a blue shift in absorption, indicating that these perovskites are suitable for optical and optoelectronic devices.

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