Abstract

A phonon wave packet dynamics method is used to characterize the Kapitza resistance of a Si/SiO2 interface in a Si/SiO2/Si heterostructure. By varying the thickness of SiO2 layer sandwiched between two Si layers, we determine the Kapitza resistance for the Si/SiO 2 interface from both wave packet dynamics and a direct, non-equilibrium molecular dynamics approach. The good agreement between the two methods indicates that they have each captured the anharmonic phonon scatterings at the interface. Moreover, detailed analysis provides insights as to how individual phonon mode scatters at the interface and their contribution to the Kapitza resistance.

Department(s)

Physics

Research Center/Lab(s)

Center for High Performance Computing Research

Keywords and Phrases

Molecular Dynamics; Phonons; Silicon; Kapitza Resistance; Non Equilibrium Molecular Dynamic (NEMD); Phonon Mode; Phonon Wave Packets; Si Layer; Wave-Packet Dynamics; Wave Packets

International Standard Serial Number (ISSN)

0021-8979

Document Type

Article - Journal

Document Version

Final Version

File Type

text

Language(s)

English

Rights

© 2014 American Institute of Physics Inc., All rights reserved.

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