First-principles calculations to investigate structural, elastic, electronic, thermodynamic, and thermoelectric properties of CaPd${}_3$B${}_4$O${}_{12}$ (B = Ti, V) perovskite

M. H. K. Rubel, M. A. Hossain, M. Khalid Hossain +6

This study has explored numerous physical properties of CaPd${}_3$Ti${}_4$O${}_1$2 (CPTO) and CaPd${}_3$V${}_4$O${}_{12}$ (CPVO) quadruple perovskites employing the density functional theory…