Calculation on power factor and figure of merit in a single-layer NiBr2

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T.B. Prayitno, D.F. Hakim, R. Jonuarti

2024 Journal of Physics: Conference Series Vol. 2866 Issue 1 Conference paper Cited by 1 Quartile

Abstract

Implementation of the classical Boltzmann transport theory has been performed to calculate the power factor, as well as the figure of merit in a single-layer NiBr2 after performing density functional theory. Those two properties were formulated from the Seebeck coefficient, electron thermal conductivity, and electrical conductivity. An in-plane ferromagnetic formation of magnetic moments in the Ni atoms was applied in the primitive cell. We found a small power factor, but a high figure of merit at the Fermi level near critical temperature. Since the efficiency of thermoelectric materials is represented by the figure of merit, a single-layer NiBr2 is a strong candidate for thermoelectric materials which can be applied in future devices. © Published under licence by IOP Publishing Ltd.

Affiliations

Physics Department, Faculty of Mathematics and Natural Science, Universitas Negeri Jakarta, Jl. Rawamangun Muka, Jakarta Timur, 13220, Indonesia; Physics Department, Faculty of Mathematics and Natural Science, Universitas Negeri Padang, Jl. Prof. Dr. Hamka Air Tawar Barat, Padang, 25171, Indonesia