Ferromagnetism in half-metallic EuGaO3 perovskite: A combined DFT and DFT+U investigation.

The structural, electronic and magnetic properties of cubic EuGaO3 has been successfully investigated within the density functional theory using full potential linearized augmented plane wave (FP-LAPW) method. The structural study reveals the ferromagnetic stability of the compound. The calculated ground state parameters like lattice constant bulks modulus are in a good agreement with the available data. The spin polarized electronic band and density of states display half-metallic nature within GGA, GGA+U and mBJ. The total magnetic moment was found large and integer values 6 μB. For the thermodynamic investigation quasi harmonic Debye model has been employed for the investigation of thermodynamic stuffs of the material. [ABSTRACT FROM AUTHOR]