Opto-electronic analysis of promising photovoltaic Cs2PdCl4Br2: An upcoming perovskite material

Abstract

The metal halide perovskites are attracting much attention due to their potential applications in optoelectronic devices. Herein, we review and calculate a new avenue for Cs$_{\mathbf {2}}$PdCl$_{\mathbf {4}} \mathbf {Br} _{\mathbf {2}}$ perovskites by computing its electronic and optical properties to show its candidature in optoelectronics. For the computation of electronic and optical properties, we have used modified Becke Johnson approximation available in Wien2k code, based on full potential lineariesd augmented plane wave method. Investigated electronic and optical properties show that $\mathbf {Cs} _{\mathbf {2}}$PdCl$_{\mathbf {4}} \mathbf {Br} _{\mathbf {2}}$ has the indirect band gap of 1.70 eV. The significant intense peaks in absorption spectra between energy range 2–3 eV reveals the utility of this compound in solar cells and other optoelectronic devices.