Poster presented during the virtual poster conference organized by the Royal Society of Chemistry #RSCPoster 2019.
Thermal transport is an important consideration in many applications from thermoelectrics to optoelectronics. In anisotropic materials such as those with layered motifs, lattice thermal conductivity (kL) can vary significantly with the direction of heat transport. We have developed a semi-empirical model to predict the direction-dependent kL. The inputs to the model are obtained from simple DFT calculations. We demonstrate the utility of this model by performing a large-scale study of the anisotropy in kL of 2261 layered materials.