Teguh Budi Prayitno, Esmar Budi, Riser Fahdiran, Yanoar Pribadi Sarwono
The thermoelectric performance of single-layer transition manganese trifluoride MnF3 based on the Nernst effect was investigated using first-principles calculations. Analysis of the electronic structure confirmed that MnF3 is a ferromagnetic Dirac half-metal, consistent with the previous results. Based on the magnetic anisotropy energy, we also confirmed that the in-plane ferromagnetic order as the magnetic orientation. Although the anomalous Nernst coefficients were small for all configurations, thermoelectric performance in the out-of-plane ferromagnetic order was superior to the in-plane ferromagnetic order in the absence of doping. Conversely, thermoelectric performance in the in-plane ferromagnetic order was better than that in the out-of-plane ferromagnetic order by introducing doping. Some integer Chern numbers (C=1 and C=−1), with or without doping, were found only in the out-of-plane ferromagnetic order when the Hubbard correction was included, suggesting single-layer MnF3 as a potential candidate for thermoelectric materials. © 2026 Elsevier B.V.
Physics Department, Faculty of Mathematics and Natural Science, Universitas Negeri Jakarta, Kampus A Jl. Rawamangun Muka, Jakarta Timur, 13220, Indonesia; Research Center for Quantum Physics, National Research and Innovation Agency (BRIN), South Tangerang, 15314, Indonesia
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