Molecular Dynamics Simulation of Heat Transport in Silicon Nano-structures Covered with Oxide Films

Abstract

We perform a series of molecular dynamics (MD) simulations to investigate the heat transport in Si nano-structures, while explicitly including oxide cover layers in the simulation system for the first time. The dependences of thermal diffusion velocity on the thicknesses of the SiO2 film and Si lattice are investigated. The results show that thermal diffusion velocity decreases with Si lattice thickness and does not depend on SiO2 film thickness.

Phonon Dispersion in 〈100〉 Si Nanowire Covered with SiO2Film Calculated by Molecular Dynamics Simulation

“…In the practical NW, the SiO 2 film would modify the phonon energy dispersion, and thus phonon energy spectrum, group velocity and relaxation time, due to the oxide-induce strain and SiO 2 /Si interface roughness. 5,6,20,21 Therefore the insulating oxide film should be included in the simulation system.…”

Effect of Three Normal Mechanical Stresses on Electrical Characteristics of Short-Channel Metal–Oxide–Semiconductor Field Effect Transistor

“…It is theoretically shown in ref. 16 that a high uniaxial strain greater than 0.5% plays an important role in the nonlinear carrier mobility enhancement. In this lowstrain region, it is considered that the linear relation of eq.…”

“…17) For example, on the basis of the k Á p perturbation theory, the hole transport has been analyzed in p-channel biaxially strained Si inversion channel, and the nonlinear mobility enhancement is presented for compressive strains. 16) Although the definite origin is unclear at present, biaxial horizontal compressive strains possibly cause this peculiar phenomenon. As described, when the vertical weight is applied on the local region of the chip, a horizontal compressive stress, as well as a vertical one, is generated at the region.…”

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

“…12 Molecular dynamics (MD) is known as a rigorous simulation method for analyzing heat transfer properties in atomic scale structures; however, its application to realistic device structures would be impractical because of the huge computational cost. 13,14 In addition, nonequilibrium Green's function (NEGF) method has been recently adopted to the phonon transport simulation, which is suitable to assess the heat transfer in the ballistic limit. [15][16][17] The Monte Carlo (MC) method for directly solving the phonon Boltzmann transport equation (BTE) is considered to be a useful approach for simulating the heat transfer in realistic nanoscale devices structures with an adequate balance of accuracy and computational efficiency and expansion for the realistic complex device structures.…”