Monte Carlo simulation of phonon transport in silicon including a realistic dispersion relation

Abstract

Thermal conductivities in bulk Si and Si films are analyzed using a Monte Carlo method to solve the phonon Boltzmann transport equation. By taking into account the realistic phonon dispersion relation calculated from the adiabatic bond charge model along with pure diffuse boundary scattering based on Lambert's law, simulated results that were in good agreement with the experimental ones were obtained. In addition, it was found that the approximated dispersion curves fitted along the [100] direction underestimate the density of states for mobile phonons, which results in a smaller specific heat and a longer phonon mean free path. The resulting impact on the simulation of heat transfer in nanostructures is discussed. V C 2013 AIP Publishing LLC.

Analysis of heat conduction property in FinFETs using phonon Monte Carlo simulation

“…So new simulation tools to accurately evaluate the heat conduction phenomena in nanoscale are now strongly required. We have recently developed Monte Carlo (MC) simulator for solving the phonon's Boltzmann transport equation taking account of rigorous physical models [4]. Furthermore, we have utilized this tool to explore heat transport properties not only in nanoscale test structures [5], but also the FinFET devices [6], and discussed the validity or limitations of the conventional Fourier-based approach, where the thermal flux is proportional to the temperature gradient, due to the quasiballistic phonon transport effect [7].…”

“…Bulk FinFET structure with a gate length of 22 nm and a Fin thickness of 8 nm [8] was considered. MC particles were assumed to be confined only inside the Si region, i.e., the perfectly reflecting boundary condition (assuming purely diffuse boundary scattering [4]) was enforced at the Si/insulator interfaces. A heat source with a power density of 7.1 TW/cm 3 mimicking the hot spot (total input power = 34 µW) was placed at the drain edge.…”

Adjoint-based deviational Monte Carlo methods for phonon transport calculations

“…Note that extension to more realistic dispersion relations such as the one presented in Ref. [30] is straightforward, as long as the post-scattering traveling directions are assumed isotropic, as assumed in Ref. [30].…”

“…[30] is straightforward, as long as the post-scattering traveling directions are assumed isotropic, as assumed in Ref. [30]. From the dispersion relation, the density of states may be derived using …”

Thermal Transport and Rectification Properties of Bamboo-Like SiC Polytypes Nanowires

“…Most later MC methods were derived from Peterson's work and extended its computational accuracy and geometric complexity [30][31][32][33][34][35][36][37]. Using realistic phonon spectra, the accuracy of the MC method can be improved significantly [38][39][40][41][42][43]. In particular, sophisticated nanostructures have attracted more interest for studying the effects of phonon ballistic transport [44,45] and interfacial scattering [46].…”