Abstract
The lattice thermal conductivity of layered group 4 disulfides , , and has been studied using dispersion-corrected hybrid density functional methods. Results obtained using both relaxation time approximation (RTA) and full solution of linearized Boltzmann transport equation have been compared and rigorously analyzed. The periodic trends of lattice thermal conductivity and its components are investigated in detail. The in-plane RTA lattice thermal conductivities of , , and at 300 K are 6.1, 8.5, and , respectively. In the cross-plane direction, where the metal sulfide layers are kept together by weak van der Waals interactions, the RTA lattice thermal conductivities of , , and at 300 K are 1.4, 1.4, and , respectively.
1 More- Received 21 May 2019
DOI:https://doi.org/10.1103/PhysRevB.100.024301
©2019 American Physical Society