The Effect of Janus Asymmetry on Thermal Transport in SnSSe

Several ternary Janus metal dichalcogenides such as {Mo,Zr,Pt}-SSe have emerged as candidates with significant potential for optoelectronic, piezoelectric, and thermoelectric applications. SnSSe, a natural option to explore as a thermoelectric given that its parent structures are SnS2 and SnSe2 has, however, only recently been shown to be mechanically stable. Here, we calculate the lattice thermal conductivities of the Janus SnSSe monolayer along with those of its parent dicalchogenides. The phonon frequencies of SnSSe are intermediate between those of SnSe2 and SnS2; however, its thermal conductivity is the lowest of the three and even lower than that of a random Sn[S0.5Se0.5](2) alloy. This can be attributed to the breakdown of inversion symmetry and manifests as a subtle effect beyond the reach of the relaxation-time approximation. Together with its low favorable power factor, its thermal conductivity confirms SnSSe as a good candidate for thermoelectric applications.