  Main physical characteristics, crystal, magnetic and electronic structures,
of cerium-based perovskites CeTmO3 [Tm3+ = Sc, Ti, V] are systematically
investigated via the first-principles computations. Full-potential linear
augmented plane-wave with the local density approximation and generalized
gradient approximation, under Perdew-Burke-Ernzerh and Wu-Cohen, based on DFT.
The optimized crystal parameters indicate that the crystal of compounds can
categorized under cubic structure (space group Pm-3m, no. 221), and their
obtained lattice constants in good agreement with the available experimental
values. The computed electronic band structures, density of states (DOS) and
charge density reveal the metallic nature for CeTmO3, except for [Tm3+ = Sc],
exhibits half-metallic characteristics. Besides, all functionals provide nearly
similar results of crystal structures, DOSs as well as spin magnetic moments
confirm that the CeTmO3 are ferromagnetic (FM) metals.
