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.
Recommended Citation
B. Deng et al., "Kapitza Resistance of Si/SiO₂ Interface," Journal of Applied Physics, vol. 115, no. 8, American Institute of Physics (AIP), Jan 2014.
The definitive version is available at https://doi.org/10.1063/1.4867047
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.
Publication Date
01 Jan 2014
