First-principles study of ferromagnetic, optical, and transport properties of double Perovskites Z2FeTiO6 (Z = Mg, Zn)

Abstract Spintronics is an emerging technology in which electron spin carries information along with its charge. The current article reveals the ferromagnetic, optical, and thermoelectric properties of Z 2 FeTiO 6 (Z = Mg, Zn) predicted using the first-principles calculations. Heisenberg’s classical...

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Bibliographic Details
Published in:Physica scripta 2022-04, Vol.97 (4), p.45807
Main Authors: Ghrib, Taher, Flemban, Tahani H, Alshahrani, Thamraa, Bouzgarrou, S, Ercan, Filiz, Mera, Abeer, Somaily, H H, Mahmood, Q
Format: Article
Language:English
Subjects:
density functional theory
exchange energies
ferromagnetic semiconductors
spintronic
thermal conductivity
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Summary:Abstract Spintronics is an emerging technology in which electron spin carries information along with its charge. The current article reveals the ferromagnetic, optical, and thermoelectric properties of Z 2 FeTiO 6 (Z = Mg, Zn) predicted using the first-principles calculations. Heisenberg’s classical model and polarization density calculations ensure ferromagnetism above room temperature and 100% spin polarization. Besides, the nature of ferromagnetism has been addressed by s-d and p-d exchange splitting, double exchange model, exchange energies, crystal field energy, and exchange constants. Furthermore, the optical properties are elaborated by dielectric constant, refractive index, and absorption in which intra-band transitions are incorporated. Finally, the thermal transports of the materials are investigated in terms of electrical and thermal conductivities, Seebeck coefficient, and power factor.
ISSN:0031-8949
1402-4896
DOI:10.1088/1402-4896/ac5af5