Phonon Transport in GaAs and InAs Twinning Superlattices

K Lopez-Guell and N Forrer and X Cartoixa and I Zardo and R Rurali, JOURNAL OF PHYSICAL CHEMISTRY C, 126, 16851-16858 (2022).

DOI: 10.1021/acs.jpcc.2c0485916851

Crystal phase engineering gives access to new types of periodic nanostructures, such as the so-called twinning superlattices, where the motif of the superlattice is determined by a periodic rotation of the crystal. Here, by means of atomistic nonequilibrium molecular dynamics calculations, we study to what extent these periodic systems can be used to alter phonon transport in a controlled way, similar to what has been predicted and observed in conventional superlattices based on heterointerfaces. We focus on twinning superlattices in GaAs and InAs and highlight the existence of two different transport regimes: in one, each interface behaves like an independent scatterer; in the other, a segment with a sufficiently large number of closely spaced interfaces is seen by propagating phonons as a metamaterial with its own thermal properties. In this second scenario, we distinguish the case where the phonon mean free path is smaller or larger than the superlattice segment, pointing out a different dependence of the thermal resistance with the number of interfaces.

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