Phonon ballistic transport in the atomic chains with different interface connections to the heat reservoir

Phonon transport in the uniform, dimer, Fibonacci and random atomic chains has been comparatively examined using the nonequilibrium atomistic Green's function method, with particular focus on the interface effects. The tapered and the flat contact to the heat reservoir are compared. It is found that the thermal conductance of the atomic chain depends on both the order degree of the atomic chain structure and the interface configuration. The flat contact is found to favor phonon transmission between the reservoirs and the effect depends on the atomic chain structure as well.

Graphical AbstractPhonon transport in a composition of tapered junctions connected to the electrodes and an atomistic chain is studied.Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► The phonon transport with findinding of interface and the order degree of chain structure relevance. ► Different thermal contacts (tapered and flat) contribute to the interface effect. ► Phonon transport in the four types of atomic chains is comparatively examined. ► Surface DOS of the contact is analyzed to indicate the dominant contribution for transport.