First principles investigations of electronics, magnetic, and thermoelectric properties of rare earth based PrYO 3 (Y=Cr, V) perovskites

Structural, thermal, elastic, electronic and magnetic properties of cubic lanthanide based perovskites type oxides PrXO3 (X = V, Cr, Mn, Fe): insights from ab initio study

“…The elastic constants (C ij ) are used to determine the effect on material by applied stress. These constants have [45] b Ref [46] c Ref [5] d Ref [15] e Ref [18] f Ref [47]…”

“…In microelectronics, the telecommunication, superconductivity, colossal magneto-resistance and ionic conductivity are the physical properties of interest among the perovskites [4]. On the basis of the electronic behavior most of the perovskites have half metallic character [5]. The half metallic behavior makes the potential material to speed up data with less energy consumption and also increase the circuit integration density.…”

“…The PrVO 3 was reported by Copie et al [13] using highresolution transmission electron microscopy studies. They concluded that PrVO 3 exhibits an insulating character and low-temperature hard-ferromagnetic behavior below 80 K. Saber et al [5] studied the structural, optical and thermoelectric properties of rare earth based PrVO 3 perovskites by using the DFT calculations. The band structures have been analyzed and DOS confirmed the half metallic ferromagnetic behavior within this compound.…”

“…Rezaiguia et al [15] studied the electronic and magnetic properties of the cubic perovskites of PrCrO 3 by using the first-principle calculations, where the electronic properties favor the complete half metallic character of PrCrO 3 in GGA and GGA + U calculations, whereas the compound have an integer total magnetic moment. Murtaza et al [5] reported the electronic, structural and magnetic properties of PrCrO 3 compound by using DFT calculations with full potential linearized augmented plane wave plus local orbitals method. The half metallic ferromagnetism in this compound was confirmed by investigating the electronic band structure and density of states (DOS).…”

Investigations of structural, electronic and optical properties of TM-GaO3 (TM = Sc, Ti, Ag) perovskite oxides for optoelectronic applications: a first principles study

“…Bouadjemi et al have observed structural, magnetic and optical properties of NdMnO 3 and found it a potential candidate for applications in spintronic and optoelectronic [12]. The electronics, magnetic, and thermoelectric properties of rare earth based PrYO 3 (Y=Cr, V) are reported by Sabir et al [13]. They unveiled that it is a suitable material for the applications in renewable energy and spin based devices.…”