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Register a new userDiameter dependence of SiGe nanowire thermal conductivity
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We theoretically compute the thermal conductivity of SiGe alloy nanowires as a function of nanowire diameter, alloy concentration, and temperature, obtaining a satisfactory quantitative agreement with experimental results. Our results account for the weaker diameter dependence of the thermal conductivity recently observed in Si$_{1-x}$Ge$_x$ nanowires ($x<0.1$), as compared to pure Si nanowires. We also present calculations in the full range of alloy concentrations, $0 leq x leq 1$, which may serve as a basis for comparison with future experiments on high alloy concentration nanowires.
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Two-dimensional materials are characterised by a number of unique physical properties which can potentially make them useful to a wide diversity of applications. In particular, the large thermal conductivity of graphene and hexagonal boron nitride has already been acknowledged and these materials have been suggested as novel core materials for thermal management in electronics. However, it was not clear if mass produced flakes of hexagonal boron nitride would allow one to achieve an industrially-relevant value of thermal conductivity. Here we demonstrate that laminates of hexagonal boron nitride exhibit thermal conductivity of up to 20 W/mK, which is significantly larger than that currently used in thermal management. We also show that the thermal conductivity of laminates increases with the increasing volumetric mass density, which creates a way of fine-tuning its thermal properties.
The lattice thermal conductivity of crystalline Si nanowires is calculated. The calculation uses complete phonon dispersions, and does not require any externally imposed frequency cutoffs. No adjustment to nanowire thermal conductivity measurements is required. Good agreement with experimental results for nanowires wider than 35 nm is obtained. A formulation in terms of the transmission function is given. Also, the use of a simpler, nondispersive Callaway formula, is discussed from the complete dispersions perspective.
The low-temperature thermal conductivity in polycrystalline graphene is theoretically studied. The contributions from three branches of acoustic phonons are calculated by taking into account scattering on sample borders, point defects and grain boundaries. Phonon scattering due to sample borders and grain boundaries is shown to result in a $T^{alpha}$-behaviour in the thermal conductivity where $alpha$ varies between 1 and 2. This behaviour is found to be more pronounced for nanosized grain boundaries. PACS: 65.80.Ck, 81.05.ue, 73.43.Cd
We have used an atomistic {it ab initio} approach with no adjustable parameters to compute the lattice thermal conductivity of Si$_{0.5}$Ge$_{0.5}$ with a low concentration of embedded Si or Ge nanoparticles of diameters up to 4.4 nm. Through exact Greens function calculation of the nanoparticle scattering rates, we find that embedding Ge nanoparticles in $text{Si}_{0.5}text{Ge}_{0.5}$ provides 20% lower thermal conductivities than embedding Si nanoparticles. This contrasts with the Born approximation which predicts an equal amount of reduction for the two cases, irrespective of the sign of the mass difference. Despite these differences, we find that the Born approximation still performs remarkably well, and it permits investigation of larger nanoparticle sizes, up to 60 nm in diameter, not feasible with the exact approach.
The authors proposed a simple model for the lattice thermal conductivity of graphene in the framework of Klemens approximation. The Gruneisen parameters were introduced separately for the longitudinal and transverse phonon branches through averaging over phonon modes obtained from the first-principles. The calculations show that Umklapp-limited thermal conductivity of graphene grows with the increasing linear dimensions of graphene flakes and can exceed that of the basal planes of bulk graphite when the flake size is on the order of few micrometers. The obtained results are in agreement with experimental data and reflect the two-dimensional nature of phonon transport in graphene.
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