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| Título: | Phonon transport across crystal-phase interfaces and twin boundaries in semiconducting nanowires |
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| Autor/a: | Carrete, Jesús; López-Suárez, Miquel.; Raya-Moreno, Martí; Bochkarev, Anton S.; Royo Valls, Miquel; Madsen, Georg Kent Hellerup; Cartoixà Soler, Xavier; Mingo, Natalio; Rurali, Riccardo |
| Abstract: | Altres ajuts: M. L. S. is funded through a Juan de la Cierva fellowship. M. R. M. acknowledges support from FPU2016/ 02565. |
| Abstract: | We combine state-of-the-art Green's-function methods and nonequilibrium molecular dynamics calculations to study phonon transport across the unconventional interfaces that make up crystal-phase and twinning superlattices in nanowires. We focus on two of their most paradigmatic building blocks: cubic (diamond/zinc blende) and hexagonal (lonsdaleite/wurtzite) polytypes of the same group-IV or III-V material. Specifically, we consider InP, GaP and Si, and both the twin boundaries between rotated cubic segments and the crystal-phase boundaries between different phases. We reveal the atomic-scale mechanisms that give rise to phonon scattering in these interfaces, quantify their thermal boundary resistance and illustrate the failure of common phenomenological models in predicting those features. In particular, we show that twin boundaries have a small but finite interface thermal resistance that can only be understood in terms of a fully atomistic picture. |
| Materia(s): | -Atomic-scale mechanisms -Building blockes -Interface thermal resistance -Non equilibrium molecular dynamic (NEMD) -Phenomenological models -Phonon transport -Semiconducting nanowires -Thermal boundary resistance |
| Derechos: | open access
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| Tipo de documento: | Article |
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| Uri: | https://ddd.uab.cat/record/223852 |
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