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Proceedings of CHT-15. 6th International Symposium on ADVANCES IN COMPUTATIONAL HEAT TRANSFER
May, 25-29, 2015, Rutgers University, New Brunswick, NJ, USA

DOI: 10.1615/ICHMT.2015.IntSympAdvComputHeatTransf


ISBN Print: 978-1-56700-429-8

ISSN: 2578-5486

PHONON EIGENSPECTRUM-BASED FORMULATION OF THE ATOMISTIC GREEN'S FUNCTION METHOD

pages 1362-1373
DOI: 10.1615/ICHMT.2015.IntSympAdvComputHeatTransf.1310
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摘要

The atomistic Green's function (AGF) method has been widely used to study phonon transport across a wide variety of materials such as Si-Ge interfaces, graphene-graphene nanoribbon interfaces and carbon nanotubes with substitutional impurities. However, most prior studies have focused on obtaining the total phonon transmission function, and predictions of polarization-resolved phonon transmission are scarce. Such polarization-specific phonon transmission functions are expected to aid the interpretation of advanced experiments that can probe phonons of a specific polarization. In this work, we report an eigenspectrum formulation to determine the surface Green's functions in the AGF method. The eigenspectrum formulation leads naturally to the definition of polarization-specific surface Green's functions that are used to obtain polarization-specific phonon transmission functions. We discuss some aspects of numerical implementation of the technique and also demonstrate it by studying phonon transport across a Ge thin film sandwiched between bulk Si contacts and on a C12 graphene sheet doped with C14 atoms. We also compare the eigenspectrum method with a prior technique to compute polarization-specific transmission functions developed by Huang et al. [2011] and highlight the advantages of the proposed technique.

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