The intrinsic lattice thermal conductivity of MoS2 is an important aspect in the design of MoS2-based nanoelectronic devices. We investigate the lattice dynamics properties of MoS2 by first principles calculations. The intrinsic thermal conductivity of single-layer MoS2 is calculated using the Boltzmann transport equation for phonons. The obtained thermal conductivity agrees well with the measurements. The contributions of acoustic and optical phonons to the lattice thermal conductivity are evaluated. The size dependence of thermal conductivity is investigated as well.
@article{arxiv.1508.03435,
title = {Towards intrinsic phonon transport in single-layer MoS$_2$},
author = {Bo Peng and Hao Zhang and Hezhu Shao and Yuanfeng Xu and Xiangchao Zhang and Heyuan Zhu},
journal= {arXiv preprint arXiv:1508.03435},
year = {2016}
}