3 years ago

Transmission eigenchannels for coherent phonon transport.

J. C. Cuevas, F. Pauly, J. C. Klöckner

We present a procedure to determine transmission eigenchannels for coherent phonon transport in nanoscale devices using the framework of nonequilibrium Green's functions. We illustrate our procedure by analyzing a one-dimensional chain, where all steps can be carried out analytically. More importantly, we show how the procedure can be combined with ab initio calculations to provide a better understanding of phonon heat transport in realistic atomic-scale junctions. In particular, we study the phonon eigenchannels in a gold metallic atomic-size contact and different single-molecule junctions based on molecules such as an alkane chain, C$_{60}$, and a brominated benzene-diamine, where in this latter case destructive phonon interference effects take place.

Publisher URL: http://arxiv.org/abs/1801.10379

DOI: arXiv:1801.10379v1

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