Abstract
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.
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