Theoretical study of Cr₂X₃S₃(X = Br, I) monolayers for thermoelectric and spin caloritronics properties

High curie temperature 2D materials are important for the progress of the field of spin caloritronics. The spin Seebeck effect and conventional thermoelectric figure of merit (ZT) can give a great insight into how these 2D magnetic materials will perform in spin caloritronics applications. Here in this paper, we have systematically studied 2D Janus monolayers based on CrX₃monolayers. We obtain a ZT of 0.31 and 0.21 for the Cr₂Br₃S₃and Cr₂I₃S₃Janus monolayers. The spin Seebeck coefficient obtained at room temperature is also very high (∼1570μVK^-1in the hole-doped region and ∼1590μVK^-1in the electron-doped region). The thermal conductivity of these monolayers (∼22 Wm^-1K^-1for Cr₂Br₃S₃and ∼16 Wm^-1K^-1for Cr₂I₃S₃) are also very similar to other 2D semiconductor transition metals chalcogenides. These findings suggest a high potential for these monolayers in the spin caloritronics field.