ES22-Oshakuade
2022 Workshop on Recent Developments in Electronic Structure (ES22) Poster Session
Author: Oshakuade, Olugbenga - Department of Physics, University of Ibadan, Ibadan, Nigeria
Title: Effects of pressure on the electronic properties of KSnX3 (X=Cl,Br,I) perovskites
Abstract: The power conversion efficiency of solar cells is known to be highly dependent on the band gap of photovoltaic materials. Hence, tuning the band gap to the appropriate band gap range for solar cells is one fundamental method to improve the power conversion efficiency of solar cells. In this work, the electronic bandstructure of KSnCl3, KSnBr3 and KSnI3 have been calculated using plane wave-based DFT method. The solution of the Murnaghan equation was obtained by fitting optimal cell volume, bulk modulus and the derivative of bulk modulus to predict calculated total energies at different lattice constants. All the systems were found to be semiconducting within the pressure considered except for KSnI3 that exhibited metallic behavior at 40 GPa. The band gap was found to decrease with pressure. The systems, under pressure, can absorb in the visible region, making them potential materials for solar cell and optoelectronic applications.
Other authors: Oyeniyi, Ezekiel. Department of Physics, University of Ibadan, Ibadan, Nigeria