The atomistic Green’s function method is improved to compute the polarization resolved phonon transport in a multiterminal system. Based on the recent developments in literature, the algorithm is simplified. The comp...The atomistic Green’s function method is improved to compute the polarization resolved phonon transport in a multiterminal system. Based on the recent developments in literature, the algorithm is simplified. The complex phonon band structure of a semi-infinite periodic terminal is obtained by the generalized eigenvalue equation. Then both the surface Green’s function and phonon group velocity in the terminal are determined from the wave modes propagating away from the scattering region along the terminal. With these key ingredients, the individual phonon mode transmittance between the terminals can be calculated. The feasibility and validity of the method are demonstrated by the chain example compared with the wave packet method, and an example of graphene nanojunction with three terminals.展开更多
基金Project supported by the National Natural Science Foundation of China(Grant No.51376094)Jiangsu Overseas Visiting Scholar Program for University Prominent Young&Middle-aged Teachers and Presidents,China
文摘The atomistic Green’s function method is improved to compute the polarization resolved phonon transport in a multiterminal system. Based on the recent developments in literature, the algorithm is simplified. The complex phonon band structure of a semi-infinite periodic terminal is obtained by the generalized eigenvalue equation. Then both the surface Green’s function and phonon group velocity in the terminal are determined from the wave modes propagating away from the scattering region along the terminal. With these key ingredients, the individual phonon mode transmittance between the terminals can be calculated. The feasibility and validity of the method are demonstrated by the chain example compared with the wave packet method, and an example of graphene nanojunction with three terminals.