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Front. Phys. | doi: 10.3389/fphy.2019.00003

Phonon Transmission across Silicon Grain Boundaries by Atomistic Green's Function Method

 Chen Li1 and Zhiting Tian1*
  • 1Cornell University, United States

Nanostructured materials are of great interest for many applications because of their special properties. Understanding the effect of grain boundaries on phonon transport in polycrystals is important for engineering nanomaterials with desired thermal transport properties. The phonon transport properties of Σ3 grain boundaries in silicon are investigated by employing atomistic Green’s function method. Results show that similar to electron transport, the perfect grain boundary does not significantly reduce the thermal conductance, while defective grain boundaries can dramatically reduce the thermal conductance. This work may be helpful for the understanding of the underlying thermal transport mechanism with grain boundaries and the design of grain boundaries for energy applications.

Keywords: atomistic Green’s function, grain boundary, Silicon, phonon transmission, Thermal Conductance

Received: 31 Jul 2018; Accepted: 08 Jan 2019.

Edited by:

Xiulin Ruan, Purdue University, United States

Reviewed by:

Adam J. Gadomski, University of Science and Technology (UTP), Poland
Xiang Chen, Louisiana Tech University, United States  

Copyright: © 2019 Li and Tian. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner(s) are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

* Correspondence: Prof. Zhiting Tian, Cornell University, Ithaca, United States, zhiting@cornell.edu