Insights into polarized Raman, infrared, and dielectric spectra of lead-free (Na 0.5 Bi 0.5 )ZrO 3 : a density functional theoretical investigation

Comprehensive theoretical and experimental studies reveal the lattice dynamics and optical and electronic properties of (Na 0.5 Bi 0.5 )ZrO 3 , confirming its role as a lead-free optoelectronic perovskite and providing benchmark data for future studies.