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Hydrodynamic signatures in thermal transport in devices based on 2D materials: an ab initio study
Martí Raya-Moreno, Jesús Carrete, Xavier Cartoixà
We investigate the features arising from hydrodynamic effects in graphene and phosphorene devices with finite heat sources, using ab initio calculations to go beyond Callaway's mod…
High-Throughput Calculations of Thermal Conductivity in Nanoporous Materials: The Case of Half-Heusler Compounds
Giuseppe Romano, Jesús Carrete, Alexie M. Kolpak +1
Achieving low thermal conductivity and good electrical properties is a crucial condition for thermal energy harvesting materials. Nanostructuring offers a very powerful tool to add…
How will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties
A García-Fuente, J Carrete, A Vega +1
We report a density-functional-theoretic study of the stability and electronic structure of two recently proposed borophene sheets with Pmmn symmetry and nonzero thickness. We then…
Cross-plane heat conduction in thin films with ab-initio phonon dispersions and scattering rates
Bjorn Vermeersch, Jesus Carrete, Natalio Mingo
We present a first-principles study of the cross-plane thermal conductivity in a wide variety of semiconductor thin films. We introduce a simple suppression model that…
Surface roughness and thermal conductivity of semiconductor nanowires: going below the Casimir limit
Jesús Carrete, Luis Javier Gallego, Luis Miguel Varela +1
By explicitly considering surface roughness at the atomic level, we quantitatively show that the thermal conductivity of Si nanowires can be lower than Casimir's classical limit. H…