Anomalous effect of hydrogenation on phonon thermal conductivity in thin silicon nanowires

• 作 者: HaipengLi[1]RuiqinZhang[2]
• 机 构: Department of Physics, China University of Mining and Technology, Xuzhou, China
• 出 处: The 2nd International Conference on Phononics and thermal En
• 发表日期: 2014年期

　　Using equilibrium molecular-dynamics simulations, we investigate the phonon thermal conductivity of hydrogenated silicon nanowires (H-SiNWs).In contrast to the usual thermal conductivity reduction observed upon surface passivation due to the enhancement of phonon surface scattering in nanostructures[1-4], we observe increased thermal conductivity upon the surface hydrogenation of thin SiNWs as compared to pure SiNWs [5].We show that such an anomalous effect arises mainly from the hydrogenation-induced specific changes in the lattice structures andphonon modes of surface silicon atoms.