# Phonon Eigenspectrum-Based Formulation of the Atomistic Green's Function Method

@article{Sadasivam2017PhononEF, title={Phonon Eigenspectrum-Based Formulation of the Atomistic Green's Function Method}, author={Sridhar Sadasivam and Umesh V. Waghmare and Timothy S. Fisher}, journal={arXiv: Mesoscale and Nanoscale Physics}, year={2017} }

While the atomistic Green's function (AGF) method has the potential to compute spectrally resolved phonon transport across interfaces, most prior formulations of the AGF method provide only the total phonon transmission function that includes contributions from all phonon branches or channels. In this work, we present a formulation of the conventional AGF technique in terms of phonon eigenspectra that provides a natural decomposition of the total transmission function into contributions from…

## 26 Citations

Atomistic
S
-matrix method for numerical simulation of phonon reflection, transmission, and boundary scattering

- PhysicsPhysical Review B
- 2018

The control of phonon scattering by interfaces is critical to the manipulation of heat conduction in composite materials and semiconducting nanostructures. However, one of the factors limiting our…

Tutorial: Concepts and numerical techniques for modeling individual phonon transmission at interfaces

- Physics, Materials ScienceJournal of Applied Physics
- 2018

At the nanoscale, thermal transport across the interface between two lattice insulators can be described by the transmission of bulk phonons and depends on the crystallographic structure of the…

Phonon transmission at crystalline-amorphous interfaces studied using mode-resolved atomistic Green's functions

- PhysicsPhysical Review B
- 2018

The transmission and reflection processes of THz phonons at solid interfaces are of fundamental interest and of importance to thermal conduction in nanocrystalline solids. The processes are…

Transmission eigenchannels for coherent phonon transport

- Materials Science, Physics
- 2018

We present a procedure to determine transmission eigenchannels for coherent phonon transport in nanoscale devices using the framework of nonequilibrium Green's functions. We illustrate our procedure…

Phonon thermal conductance across GaN-AlN interfaces from first principles

- Materials SciencePhysical Review B
- 2019

The vibrational thermal conductances (G) across GaN-AlN interfaces are computed using a non-equilibrium Green’s functions formalism in the harmonic limit with bulk and interfacial interatomic force…

Anisotropic Thermal Boundary Resistance across 2D Black Phosphorus: Experiment and Atomistic Modeling of Interfacial Energy Transport.

- Materials Science, MedicineAdvanced materials
- 2019

A critical fundamental understanding of interfacial thermal transport and TBR-structure relationships is provided, which may open up new opportunities in developing advanced thermal management technology through the rational control over nanostructures and interfaces.

B 97 , 155432 ( 2018 ) Transmission eigenchannels for coherent phonon transport

- 2018

We present a procedure to determine transmission eigenchannels for coherent phonon transport in nanoscale devices using the framework of nonequilibrium Green’s functions. We illustrate our procedure…

Simulation of elastic wave transmission in phononic crystal waveguides

- Materials ScienceVibroengineering PROCEDIA
- 2019

An atomistic Green’s function method hybrid with the finite element method is developed to analyze the mode-dependent elastic wave transmittance in a structure with arbitrary geometries. The validity…

Equivalence of wave function matching and Green's functions methods for quantum transport: generalized Fisher-Lee relation.

- Physics, MedicineJournal of physics. Condensed matter : an Institute of Physics journal
- 2020

We present a proof of an exact equivalence of the two approaches that are most used in computing conductance in quantum electron and phonon transport: the wave function matching and Green's functions…

Tuning phonon transport spectrum for better thermoelectric materials

- Medicine, Materials ScienceScience and technology of advanced materials
- 2019

Recent advances in analyzing spectral impedance of phonon transport on the basis of various effects including alloy scattering, boundary scattering, and particle resonance are reviewed.

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