Investigation of thermal conductivity of GaN by molecular dynamics

Abstract

Thermal conductivity of GaN was investigated by molecular dynamics simulation. We used Stillinger–Weber potentials, and Green-Kubo's formula was employed to calculate thermal conductivity. The results showed that the thermal conductivity of GaN at 300 K was in the range of 310 < λ < 380 W / mK , which is higher than the reported experimental values. We also investigated the temperature dependence of thermal conductivity in the temperature range of 300–1200 K.