Publikation:

Transmission eigenchannels for coherent phonon transport

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2018

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http://nbn-resolving.de/urn:nbn:de:bsz:352-2-yng3gkna5nt95
DOI (zitierfähiger Link)
https://doi.org/10.1103/PhysRevB.97.155432
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http://arxiv.org/abs/1801.10379

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Physical Review B. 2018, 97(15), 155432. ISSN 2469-9950. eISSN 2469-9969. Available under: doi: 10.1103/PhysRevB.97.155432

Zusammenfassung

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 C60 junction.

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ISO 690KLÖCKNER, Jan C., Juan Carlos CUEVAS, Fabian PAULY, 2018. Transmission eigenchannels for coherent phonon transport. In: Physical Review B. 2018, 97(15), 155432. ISSN 2469-9950. eISSN 2469-9969. Available under: doi: 10.1103/PhysRevB.97.155432
BibTex
@article{Klockner2018Trans-42302,
  year={2018},
  doi={10.1103/PhysRevB.97.155432},
  title={Transmission eigenchannels for coherent phonon transport},
  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}
}
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