Anharmonic phonon transport in atomic wire coupled by thermal contacts with surface bond reconstruction

作者:Li Jing*; Yeung T C Au; Kam C H; Peng Yue; Chen Qing hu; Zhao Xuean; Sun Chang Q
来源:Journal of Applied Physics, 2009, 106(1): 014308.
DOI:10.1063/1.3157175

摘要

Phonon transport in atomic wire coupled by two semi-infinite thermal contacts is investigated by atomic nonequilibrium Green's functions. The effect on phonon transport due to anharmonicity in atomic wire and surface bond reconstruction of thermal contact is analyzed. It is found that surface bond reconstruction affects phonon transport significantly in the presence of anharmonicity.