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In this paper, we investigate the lattice thermal conductivity of Janus In 2 Ge 2 S 6  and In 2 Ge 2 S 3 Se 3  bilayers by solving the phonon Boltzmann transport equation using first-principles calculations. We found that this is mainly due to the fact that the frequencies at which larger gaps appear in the intermediate and high frequency optical branches of In 2 Ge 2 S 3 Se 3  are smaller than those of In 2 Ge 2 S 6 , which shifts the phonon dispersion curve of In 2 Ge 2 S 3 Se 3  downward, which makes the overall phonon group velocity of In 2 Ge 2 S 3 Se 3  material smaller than that of In 2 Ge 2 Se 6  material, and also due to the fact that In 2 Ge 2 S 3 Se 3  soft bending in the finite layer thickness coupling and the tight connection of the in-plane acoustic modes, resulting in increased phonon-phonon scattering processes, shorter phonon relaxation times, and larger Grüneisen parameters indicating a stronger anharmonic In 2 Ge 2 S 3 Se 3  structure, all these factors combined lead to a lattice thermal conductivity of In 2 Ge 2 S 3 Se 3  smaller than the lattice thermal conductivity of In 2 Ge 2 S 6 . At a temperature of 1000 K, the In 2 Ge 2 S 3 Se 3  structure has a minimum lattice thermal conductivity of about 0.22 W/mK, and In 2 Ge 2 S 6  has a minimum lattice thermal conductivity of about 0.4 W/mK. Our results suggest that Janus In 2 Ge 2 S 6  and In 2 Ge 2 S 3 Se 3  bilayers are potential for future thermal management of nanoelectronic devices and thermoelectric devices. two-dimensional materials.

Study of the Lattice Thermal Conductivity of Janus In 2 Ge 2 S 6 and In 2 Ge 2 S 3 Se 3 Bilayers