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

• Published in: Journal of superconductivity and novel magnetism Vol. 36; no. 4; pp. 1203 - 1215
• Main Authors: Berri, Saadi, Kaur, Kulwinder, C.Gupta, Dinesh, Sofi, Shakeel Ahmad, Singh, Jaspal, Srinivasana, Marutheeswaran, Wani, Aadil Fayaz, Lone, Ikram Un Nabi
• Format: Journal Article
• Language: English
• Published: New York Springer US 01-04-2023
• Subjects: Characterization and Evaluation of Materials; Condensed Matter Physics; Magnetic Materials; Magnetism; Original Paper; Physics; Physics and Astronomy; Strongly Correlated Systems; Superconductivity; Seebeck coefficient; Magnetism, band structure; Pyrochlore oxide; Figure of merit
• ISSN: 1557-1939; 1557-1947
• DOI: 10.1007/s10948-023-06543-2

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.