Study On Thermoelectric Properties Of Cri3 Monolayer

In this work, the thermoelectric (TE) properties of the CrI3 monolayer are studied using the Boltzmann transport equation based on the energy band from the first-principles calculation. A strong spin-dependent Seebeck phenomenon is found. The positive Seebeck (spin-Seebeck) coefficient at 800 K reaches up to 291 (263) mu V K-1 describing the p-type semiconductor character and the figure of merit is as high as 0.95, mainly originating from the unique band structure of the CrI3 monolayer. This indicates that the CrI3 monolayer may be a potential candidate for low dimensional spin TE application.