English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/203417
logo share SHARE   Add this article to your Mendeley library MendeleyBASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Strain engineering of ZnO thermal conductivity

AuthorsSeijas Bellido, Juan Antonio; Rurali, Riccardo ; Íñiguez, Jorge ; Colombo, Luciano ; Melis, Claudio
Issue Date11-Jun-2019
AbstractUsing a combination of equilibrium classical molecular dynamics (within the Green-Kubo formalism) and the Boltzmann transport equation, we study the effect of strain on the ZnO thermal conductivity focusing in particular on the case of hydrostatic and uniaxial strain. The results show that in the case of hydrostatic strain up to ± 4 % , we can obtain thermal conductivity variations of more than 100%, while for uniaxial strains the calculated thermal conductivity variations are comparatively less pronounced. In particular, by imposing uniaxial compressive strains up to − 4 % , we estimate a corresponding thermal conductivity variation close to zero. The mode analysis based on the solution of the Boltzmann transport equation shows that for hydrostatic strains, the thermal conductivity variations are mainly due to a corresponding modification of the phonon relaxations times. Finally, we provide evidence that for uniaxial compressive strains the contribution of the phonon relaxations time is balanced by the increase of the group velocities leading to a thermal conductivity almost unaffected by strain.
Publisher version (URL)http://dx.doi.org/10.1103/PhysRevMaterials.3.065401
Appears in Collections:(ICMAB) Artículos
Files in This Item:
File Description SizeFormat 
Seijas_PhysRevMat_2019_editorial.pdf2,28 MBAdobe PDFThumbnail
Show full item record
Review this work

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.