Phonon transport in amorphous carbon using Green–Kubo modal analysis
W. Lv and A. Henry, Phonon transport in amorphous carbon using Green–Kubo modal analysis, Appl. Phys. Lett. 108, 181905 (2016).
Amorphous carbon (a-C) is an important material often used in microelectronics. Using a recently developed approach, termed Green–Kubo modal analysis, we were able to calculate the thermal conductivity of a-C, which yielded excellent agreement with experiments, by employing a simple correction to the specific heat. The results show that the heat capacity substantially limits the thermal conductivity of a-C at room temperature and it is dominated by contributions from diffusons between 10 and 40 THz. Furthermore, the phonon relaxation times in a-C do not vary significantly with increasing temperature, which is quite unusual by comparison with the behavior observed for other materials.