Investigation of thermal conductivity of GaN by molecular dynamics

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 < lambda < 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. (c) 2005 Elsevier B.V. All rights reserved.