Abstract
Electronic, optical and magnetic properties of perovskite oxides PrXO
3
(X = V, Cr) are calculated by first-principle calculations. The calculations of electronic band structure and density of states (DOS) show that the PrVO
3
exhibits metallic behaviour, while PrCrO
3
exhibits half-metallic nature with direct band gap. The calculated band gap of PrCrO
3
is 2.7 in the minority spin state. The origin and nature of ferromagnetism has been observed in terms of crystal field energies, exchange constant and exchange energies. The magnetic moment of PrVO
3
is 3.42491 μB, while that of PrCrO
3
is 5.00003 μB. Moreover, the evolution of PrCrO
3
compound based on its electronic and magnetic properties confirms that the compound is suitable for spintronics applications. Results revealed that PrCrO
3
has low reflectivity, high dielectric constant, high optical conductivity and high absorption coefficient which indicate that the material is a potential candidate in the wide range of optoelectronic applications.