This paper presents a semiclassical model for the anisotropic thermal transport in III-V semiconductor superlattices (SLs). An effective interface rms roughness is the only adjustable parameter. Thermal transport inside a layer is described by the Boltzmann transport equation in the relaxation time approximation and is affected by the relevant scattering mechanisms (three-phonon, mass-difference, and dopant and electron scattering of phonons), as well as by diffuse scattering from the interfaces captured via an effective interface scattering rate. The in-plane thermal conductivity is obtained from the layer conductivities connected in parallel. The cross-plane thermal conductivity is calculated from the layer thermal conductivities in series with one another and with thermal boundary resistances (TBRs) associated with each interface; the TBRs dominate cross-plane transport. The TBR of each interface is calculated from the transmission coefficient obtained by interpolating between the acoustic mismatch model (AMM) and the diffuse mismatch model (DMM), where the weight of the AMM transmission coefficient is the same wavelength-dependent specularity parameter related to the effective interface rms roughness that is commonly used to describe diffuse interface scattering. The model is applied to multiple III-arsenide superlattices, and the results are in very good agreement with experimental findings. The method is both simple and accurate, easy to implement, and applicable to complicated SL systems, such as the active regions of quantum cascade lasers. It is also valid for other SL material systems with high-quality interfaces and predominantly incoherent phonon transport.Comment: Manuscript (9 pages) plus supplementary materials (6 pages

We simulate phonon transport in suspended graphene nanoribbons (GNRs) with real-space edges and experimentally-relevant widths and lengths (from submicron to hundreds of microns). The full-dispersion phonon Monte Carlo (PMC) simulation technique, which we describe in detail, involves a stochastic solution to the phonon Boltzmann transport equation with the relevant scattering mechanisms (edge, three-phonon, isotope, and grain boundary scattering) while accounting for the dispersion of all three acoustic phonon branches, calculated from the fourth-nearest-neighbor dynamical matrix. We accurately reproduce the results of several experimental measurements on pure and isotopically modified samples [S.

We introduce a technique to calculate thermal conductivity in disordered nanostructures: a finitedifference time-domain (FDTD) solution of the elastic wave equation combined with the Green-Kubo formula. The technique captures phonon wave behavior and scales well to nanostructures that are too large or too surface disordered to simulate with many other techniques. We investigate the role of Rayleigh waves and surface disorder on thermal transport by studying graphenelike nanoribbons with free edges (allowing Rayleigh waves) and fixed edges (prohibiting Rayleigh waves). We find that free edges result in a significantly lower thermal conductivity than fixed ones. Free edges both introduce Rayleigh waves and cause all low-frequency modes (bulk and surface) to become more localized. Increasing surface disorder on free edges draws energy away from the center of the ribbon and toward the disordered edges, where it gets trapped in localized surface modes. These effects are not seen in ribbons with fixed boundary conditions and illustrate the importance of phonon surface modes in nanostructures.

We present a quantum transport simulation of a 4.6-µm quantum cascade laser (QCL) operating at high power near room temperature. The simulation is based on a rigorous density-matrix-based formalism, in which the evolution of the single-electron density matrix follows a Markovian master equation in the presence of applied electric field and relevant scattering mechanisms. We show that it is important to allow for both position-dependent effective mass and for effective lowering of very thin barriers in order to obtain the band structure and the current-field characteristics comparable to experiment. Our calculations agree well with experiments over a wide range of temperatures. We predict a room-temperature threshold field of 62.5 kV/cm and a characteristic temperature for threshold-current-density variation of T 0 = 199 K. We also calculate electronic in-plane distributions, which are far from thermal, and show that subband electron temperatures can be hundreds to thousands of degrees higher than the heat sink. Finally, we emphasize the role of coherent tunneling current by looking at the size of coherences, the off-diagonal elements of the density matrix. At the design lasing field, efficient injection manifests itself in a large injector/upper lasing level coherence, which underscores the insufficiency of semiclassical techniques to address injection in QCLs.

Thermal management efforts in nanoscale devices must consider both the thermal properties of the constituent materials and the interfaces connecting them. It is currently unclear whether alloy/alloy semiconductor superlattices such as InAlAs/InGaAs have lower thermal conductivities than their constituent alloys. We report measurements of the crossplane thermal resistivity of InAlAs/InGaAs superlattices at room temperature, showing that the superlattice resistivities are larger by a factor of 1.2–1.6 than that of the constituent bulk materials, depending on the strain state and composition. We show that the additional resistance present in these superlattices can be tuned by a factor of 2.5 by altering the lattice mismatch and thereby the phonon-mode mismatch at the interfaces, a principle that is commonly assumed for superlattices but has not been experimentally verified without adding new elements to the layers. We find that the additional resistance in superlattices does not increase significantly when the layer thickness is decreased from 4 to 2 nm. We also report measurements of 250–1000 nm thick films of undoped InGaAs and InAlAs lattice-matched to InP substrates, for there is no published thermal conductivity value for the latter, and we find it to be 2.24 ± 0.09 at 22 °C, which is ∼2.7 times smaller than the widely used estimates.