Related papers: GiftBTE: An efficient deterministic solver for non…
We perform an ab initio computational investigation of the electronic and thermoelectric transport properties of one of the best performance half-Heusler (HH) alloys, NbFeSb. We use Boltzmann Transport equation while taking into account the…
The phenomenological textbook equations for the charge and heat transport are extensively used in a number of fields ranging from semiconductor devices to thermoelectricity. We provide a rigorous derivation of transport equations by solving…
Using a full dispersion description of phonons, the thermal conductivities of bulk Si and Bi2Te3 are evaluated using a Landauer approach and related to the conventional approach based on the Boltzmann transport equation. A procedure to…
Thermal transport in a quasi-ballistic regime is determined not only by the local temperature $T(r)$, or its gradient $\nabla T(r)$, but also by temperature distribution at neighboring points. For an accurate description of non-local…
We calculate the lattice thermal conductivities of the pyrite-type ZnSe2 at pressures of 0 and 10 GPa using the linearized phonon Boltzmann transport equation. We obtain a very low value [0.69 W/(mK) at room temperature at 0 GPa],…
The thermal transport properties of single-wall carbon nanotubes (SWCNTs) are re-investigated using the iterative solution of the Boltzmann transport equation by including four-phonon scattering. Using only three-phonon scattering, the…
Phonon boundary scattering is typically treated using the Fuchs-Sondheimer theory, which assumes that phonons are thermalized to the local temperature at the boundary. However, whether such a thermalization process actually occurs and its…
The present work is motivated by the development of a fast DG based deterministic solver for the extension of the BTE to a system of transport Boltzmann equations for full electronic multi-band transport with intra-band scattering…
A synthetic iterative scheme is developed for thermal applications in hotspot systems with large temperature variance. Different from previous work with linearized equilibrium state and small temperature difference assumption, the phonon…
A first-principles density functional method along with the direct solution of linearized Boltzmann transport equations are employed to systematically analyze the low-temperature thermal transport in crystalline GeTe. The extensive thermal…
The lattice thermal conductivity (LTC) of ZrSe$_2$, a typical layered transition metal disulfide, has been calculated using a hybrid approach that combines force field molecular dynamics (MD) simulation and Boltzmann transport equation…
We report fully quantum simulations of realistic models of boron-doped graphene-based field effect transistors, including atomistic details based on DFT calculations. We show that the self-consistent solution of the three-dimensional (3D)…
Nanotransistors typically operate in far-from-equilibrium (FFE) conditions, that cannot be described neither by drift-diffusion, nor by purely ballistic models. In carbonbased nanotransistors, source and drain contacts are often…
In this paper, we examine the application of an ideal phonon-hydrodynamic material as the heat transfer medium between two non-hydrodynamic contacts with a finite temperature difference. We use the integral-equation approach to solve a…
Thermal management is extremely important for designing high-performance devices. The lattice thermal conductivity of materials is strongly dependent on the structural defects at different length scales, particularly point defects like…
We describe nonlinear phonon-thermoelectric devices where charge current and electronic and phononic heat currents are coupled, driven by voltage and temperature biases, when phonon-assisted inelastic processes dominate the transport. Our…
This research addresses the numerical simulation of the Boltzmann transport equation for semiconductor devices by proposing a multidimensional self-adaptive numerical simulation framework. This framework is applied to two important…
Due to potential applications in nano- and opto-electronics, two-dimensional (2D) materials have attracted tremendous interest. Their thermal transport properties are closely related to the performance of 2D materials-based devices. Here,…
Coherent thermal transport in nanopatterned structures is a topic of considerable interest, but whether it occurs in certain structures remains unclear due to poor understanding of which phonons conduct heat. Here, we perform the first…
We show that the local temperature dependence of thermalized electron and phonon populations along metallic carbon nanotubes is the main reason behind this non-linear transport characteristics in the high bias regime. Our model that…