Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

Experimental observation of localized interfacial phonon modes

Journal Article · · Nature Communications
 [1];  [2];  [3];  [4];  [5];  [6];  [5];  [3];  [7];  [8];  [4];  [6];  [9];  [2];  [5]
  1. Georgia Institute of Technology, Atlanta, GA (United States); OSTI
  2. University of Notre Dame, IN (United States)
  3. University of California, Irvine, CA (United States)
  4. Naval Research Laboratory (NRL), Washington, DC (United States)
  5. Georgia Institute of Technology, Atlanta, GA (United States)
  6. University of California, Los Angeles, CA (United States)
  7. Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)
  8. Kyung Hee University, Yongin (Korea, Republic of)
  9. University of Notre Dame, IN (United States); University of California, Irvine, CA (United States)
+ Show Author Affiliations
Interfaces impede heat flow in micro/nanostructured systems. Conventional theories for interfacial thermal transport were derived based on bulk phonon properties of the materials making up the interface without explicitly considering the atomistic interfacial details, which are found critical to correctly describing thermal boundary conductance. Recent theoretical studies predicted the existence of localized phonon modes at the interface which can play an important role in understanding interfacial thermal transport. However, experimental validation is still lacking. Through a combination of Raman spectroscopy and high-energy-resolution electron energy-loss spectroscopy in a scanning transmission electron microscope, we report the experimental observation of localized interfacial phonon modes at ~12 THz at a high-quality epitaxial Si-Ge interface. These modes are further confirmed using molecular dynamics simulations with a high-fidelity neural network interatomic potential, which also yield thermal boundary conductance agreeing well with that measured in time-domain thermoreflectance experiments. Simulations find that the interfacial phonon modes have an obvious contribution to the total thermal boundary conductance. Our findings significantly contribute to the understanding of interfacial thermal transport physics and have impact on engineering thermal boundary conductance at interfaces in applications such as electronics thermal management and thermoelectric energy conversion.
Research Organization:
University of California, Irvine, CA (United States); University of Notre Dame, IN (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); Office of Naval Research (ONR); National Science Foundation (NSF)
Grant/Contract Number:
SC0014430
OSTI ID:
1904448
Journal Information:
Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 12; ISSN 2041-1723
Publisher:
Nature Publishing GroupCopyright Statement
Country of Publication:
United States
Language:
English

References (51)

Phonon Transport at Crystalline Si/Ge Interfaces: The Role of Interfacial Modes of Vibration journal March 2016
A microscopic formulation of the phonon transmission at the nanoscale journal July 2013
Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method journal December 2012
A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces journal August 2019
Optical properties of intrinsic silicon at 300 K journal January 1995
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach journal April 2005
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics journal July 2018
A unified deep neural network potential capable of predicting thermal conductivity of silicon in different phases journal March 2020
Evolution of Si0.8Ge0.2 quantum dots during Si encapsulation journal February 2006
Thermal Boundary Conductance Across Heteroepitaxial ZnO/GaN Interfaces: Assessment of the Phonon Gas Model journal November 2018
Unexpected Strong Thermally Induced Phonon Energy Shift for Mapping Local Temperature journal September 2019
Probing Growth-Induced Anisotropic Thermal Transport in High-Quality CVD Diamond Membranes by Multifrequency and Multiple-Spot-Size Time-Domain Thermoreflectance journal January 2018
Vibrational spectroscopy in the electron microscope journal October 2014
Mapping vibrational surface and bulk modes in a single nanocube journal March 2017
Effects of chemical bonding on heat transport across interfaces journal April 2012
Vibrational spectroscopy at atomic resolution with electron impact scattering journal October 2019
Single-defect phonons imaged by electron microscopy journal January 2021
Relaxion stars and their detection via atomic physics journal January 2020
Thermal conductance across harmonic-matched epitaxial Al-sapphire heterointerfaces journal June 2020
Effect of light atoms on thermal transport across solid–solid interfaces journal January 2019
Analysis of heat flow in layered structures for time-domain thermoreflectance journal December 2004
Acoustic mismatch model for thermal contact resistance of van der Waals contacts journal January 2009
Multiple phonon processes contributing to inelastic scattering during thermal boundary conductance at solid interfaces journal July 2009
Nanoscale thermal transport. II. 2003–2012 journal March 2014
Thermal resistance at interfaces journal December 1987
Extraordinary phonon transmission through hidden lattice-wave nanochannels as resonance quantum phonon tunneling conference January 2020
A deep neural network interatomic potential for studying thermal conductivity of β -Ga 2 O 3 journal October 2020
Rigorous formalism of anharmonic atomistic Green's function for three-dimensional interfaces journal January 2020
Fluctuation subharmonic and multiharmonic phonon transmission and Kapitza conductance between crystals with very different vibrational spectra journal July 1995
Separable dual-space Gaussian pseudopotentials journal July 1996
Lattice dynamics of a disordered solid-solid interface journal September 1999
Thermal conductance of interfaces between highly dissimilar materials journal April 2006
Assessing the applicability of quantum corrections to classical thermal conductivity predictions journal June 2009
Thermal boundary resistance predictions from molecular dynamics simulations and theoretical calculations journal October 2009
Controlling thermal conductance through quantum dot roughening at interfaces journal July 2011
Effect of lattice mismatch on phonon transmission and interface thermal conductance across dissimilar material interfaces journal August 2012
Enhancing phonon transmission across a Si/Ge interface by atomic roughness: First-principles study with the Green's function method journal December 2012
Frequency-dependent phonon mean free path in carbon nanotubes from nonequilibrium molecular dynamics journal March 2015
Full quantification of frequency-dependent interfacial thermal conductance contributed by two- and three-phonon scattering processes from nonequilibrium molecular dynamics simulations journal March 2017
Thermal conductivity decomposition in two-dimensional materials: Application to graphene journal April 2017
Unexpected high inelastic phonon transport across solid-solid interface: Modal nonequilibrium molecular dynamics simulations and Landauer analysis journal January 2019
Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics journal April 2018
Unified Approach for Molecular Dynamics and Density-Functional Theory journal November 1985
Efficient and Accurate Car-Parrinello-like Approach to Born-Oppenheimer Molecular Dynamics journal February 2007
Thermal boundary resistance journal July 1989
Simulation of Interfacial Phonon Transport in Si–Ge Heterostructures Using an Atomistic Green’s Function Method journal May 2006
Influence of Inelastic Scattering at Metal-Dielectric Interfaces journal February 2008
The Transport of heat Between Dissimilar Solids at low Temperatures journal March 1959
DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics dataset January 2018
Probing and tuning inelastic phonon conductance across finite-thickness interface journal November 2014

Similar Records

Experimental metrology to obtain thermal phonon transmission coefficients at solid interfaces
Journal Article · Wed May 17 00:00:00 EDT 2017 · Physical Review B · OSTI ID:1407989
Phonon Transport at the Interfaces of Vertically Stacked Graphene and Hexagonal Boron Nitride Heterostructures
Journal Article · Mon Jan 11 23:00:00 EST 2016 · Nanoscale · OSTI ID:1254794
Interfacial electron and phonon scattering processes in high-powered nanoscale applications.
Technical Report · Sat Oct 01 00:00:00 EDT 2011 · OSTI ID:1029772

Related Subjects

36 MATERIALS SCIENCE
42 ENGINEERING
interfaces
mechanical engineering
surfaces
thin films