Computational investigation of a perovskite LaBiO for photovoltaic, thermoelectric, and optoelectronic applications
This study employs density functional theory to comprehensively investigate the structural, electronic, mechanical, optical, and thermoelectric properties of the trigonal LaBiO perovskite, revealing its wide indirect band gap, ductile nature, and potential for photovoltaic, optoelectronic, and thermoelectric applications.