First-principles study of ferromagnetism and thermoelectric aspects of Sr(Pr/Nd)2S4 spinel chalcogenides as promising aspirants for spintronic and energy applications.
This article investigates the rare-earth-doped spinel chalcogenides Sr(Pr/Nd)2S4 for spintronics and thermoelectric applications. Spin-dependent structure optimization reveals their stability in the ferromagnetic state. Tolerance factors, formation energies, ab initio molecular dynamics simulations, and phonon band str...