Abstract:This work aims to study the optoelectronic and thermoelectric properties of the new perovskites LiSnX3 (X[Formula: see text]Br or I). This study is carried out by using the density functional theory (DFT) combined with the Boltzmann transport theory. First, the investigation of the structural, electronic and optical properties of such materials, using the Generalized Gradient Approximation (GGA), has been performed. This latter method has been performed under the Perdew–Burke–Ernzerhof (GGA–PBE) approximation … Show more
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