Phonon Transport in GaAs and InAs Twinning Superlattices
López-Güell, Kim (Institut de Ciència de Materials de Barcelona)
Forrer, Nicolas (University of Basel)
Cartoixà Soler, Xavier (Universitat Autònoma de Barcelona. Departament d'Enginyeria Electrònica)
Zardo, Ilaria (University of Basel)
Rurali, Riccardo (Institut de Ciència de Materials de Barcelona)

Data:	2022
Resum:	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.
Ajuts:	Agencia Estatal de Investigación RTI2018-097876-B-C21 European Commission. Horizon 2020 756365
Nota:	Altres ajuts: Swiss National Science Foundation (184942); Generalitat de Catalunya (2017 SGR 1506); Severo Ochoa Centres of Excellence Program (CEX2019-000917-S).
Drets:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, fins i tot amb finalitats comercials, sempre i quan es reconegui l'autoria de l'obra original.
Llengua:	Anglès
Document:	Article ; recerca ; Versió publicada
Matèria:	Atomistics ; Crystal phasis ; Hetero-interfaces ; Molecular-dynamics calculation ; Non equilibrium molecular dynamic (NEMD) ; Periodic nanostructure ; Phonon mean free path ; Phonon transport
Publicat a:	Journal of physical chemistry. C, Vol. 126 Núm. 39 (june 2022) , p. 16851-16858, ISSN 1932-7455

DOI: 10.1021/acs.jpcc.2c04859
PMID: 36237275

8 p, 2.0 MB

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