Tailoring the Inherent Magnetism and Thermoelectric Response of Pyrochlore Oxide A2B2O7 (A = Er, B = Ru, Sn, Ge, Pt): A Computational Approach

In this work, the first principle approach is used extensively to scrutinize the magneto-electronic properties of ternary A 2 B 2 O 7 (A = Er and B = Ru, Sn, Ge, Pt) to explore its significance in spintronics applications. The calculations reveal that Er 2 Ge 2 O 7 is a half-metallic material with a bandgap of 3.74 eV (↑) and Er 2 (Sn, Pt) 2 O 7 are magnetic semiconductors, which is promising for spintronic applications. Thermoelectric coefficients such as the figure of merit thermal and electrical conductivities, the Seebeck coefficient ( S ), are also examined to check the possibility of these materials in the field of thermoelectric. The computed value of ZT reflects ( ZT ~ 1) A 2 B 2 O 7 materials and reveals that such type of materials holds a virtuous route towards thermoelectric applicability.