Transmission eigenchannels for coherent phonon transport

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KLÖCKNER, Jan C., Juan Carlos CUEVAS, Fabian PAULY, 2018. Transmission eigenchannels for coherent phonon transport. In: Physical Review B. 97(15), 155432. ISSN 2469-9950. eISSN 2469-9969. Available under: doi: 10.1103/PhysRevB.97.155432

@article{Klockner2018Trans-42302, title={Transmission eigenchannels for coherent phonon transport}, year={2018}, doi={10.1103/PhysRevB.97.155432}, number={15}, volume={97}, issn={2469-9950}, journal={Physical Review B}, author={Klöckner, Jan C. and Cuevas, Juan Carlos and Pauly, Fabian}, note={Article Number: 155432} }

Cuevas, Juan Carlos 2018-05-11T09:13:41Z Klöckner, Jan C. Pauly, Fabian Transmission eigenchannels for coherent phonon transport 2018-05-11T09:13:41Z Pauly, Fabian eng Klöckner, Jan C. 2018 Cuevas, Juan Carlos 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, a brominated benzene-diamine, where destructive phonon interference effects take place, and a C<sub>60</sub> junction.

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