Optoelectronic and Thermoelectric Properties of the Tetragonal Structure of the Halide Perovskite Material RbSeBr3 used for low-cost Photovoltaic

Abstract

Perovskite solar cells are the future of energy production due to the high- efficiency and low production costs. In this work, the structural, electronic and optical properties of the tetragonal inorganic halideperovskiteRbSeBr3 are performed using the full potential linearized augmented plane waves (FP-LAPW) method with the PerdewBurke–Ernzerh generalized gradient approximation (PBE-GGA) as well as the local density approximation (LDA) and the modified Becke-Johnson (mBJ-LDA) as exchange correlation potentials using Wien2k code. Furthermore, the thermoelectric propertieshave been calculated using BoltzTrap code, the obtained results show that the studied compound (RbSeBr3) has a metallic character and can be used as an absorber in UV-interval; on the other hand the thermoelectric power reveals a high value.

Keywords

• electronic and optical properties
• inorganic halideperovskite
• tetragonal rbsebr3
• fp-lapw
• pbe- gga
• lda
• mbj-lda
• wien2k
• thermoelectric properties
• boltztrap