Dependence of spin states on thermoelectric quantities in a single-layer FeCl2
Year: 2024
Type: conference-paper
Abstract: Some thermoelectric quantities were considered under the spin states, i.e., spin-up and spin-down states, in a single-layer FeCl2. It covers the Seebeck coefficient, electrical and thermal conductivities, and figure of merit. We first examined the band structure for the spin-up and spin-down states based on density functional theory in the collinear ferromagnetic state. From the separated energy states, the Seebeck coefficients were computed under the Boltzmann transport theory. We found that only the spin-down state, which creates a metallic state, contributes to the thermoelectric performance. Even though the peak of the figure of merit is far from the Fermi level, this can be shifted by doping.
Authors: Teguh Budi Prayitno, Dwi Susanti
Institution: State University of Jakarta
Language: English
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: diamond
OpenAlex ID: W4405320039