Abstract
In this article, we have studied the structural, electronic, magnetic and thermodynamic properties of alkaline earth based cubic perovskites PbXO3 (X = Mg, Ca, Sr). To study the above properties, we employed density functional theory. We implemented full potential linearized augmented plane wave with XC potential generalized gradient approximation. The reported perovskites are investigated in cubic, orthorhombic, rhombohedral and tetragonal phase. We find that all the cubic perovskites having stable structure in ferromagnetic nature. The calculated formation energy suggests that the studied materials are thermodynamically stable. Our electronic and magnetic studies show that the considered perovskites are half-metal in nature. So, it may be a potential candidate for spintronic applications.
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