Accessing the thermal conductivities of Sb2Te3 and Bi2Te3/Sb2Te3 superlattices by molecular dynamics simulations with a deep neural network potential

The lattice thermal conductivities of Bi 2 Te 3 /Sb 2 Te 3 superlattices with different periods are accurately predicted using NEMD together with an NNP, which serves as a good example to explore the thermal transport physics of superlattices using an NNP.