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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.
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 ha
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 i
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 bound
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 G
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