Hierarchy of Exchange-Correlation Functionals in Computing Lattice Thermal Conductivities of Rocksalt and Zincblende Semiconductors

Jiacheng Wei, Zhonghao Xia, Yi Xia +1

Lattice thermal conductivity (${\kappa }_{\mathrm{L}}$) is a crucial characteristic of crystalline solids with significant implications for practical applications. While the higher order of anh…