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The thermal transport across metal-insulator interface can be characterized by electron-phonon interaction through which an electron lead is coupled to a phonon lead if phonon-phonon coupling at the interface is very weak. We investigate…

Materials Science · Physics 2013-10-17 Lifa Zhang , Jing-Tao Lü , Jian-Sheng Wang , Baowen Li

Features of thermal transport in multilayered porous silicon nanostructures are considered. Such nanostructures were fabricated by electrochemical etching of monocrystalline Si substrates by applying periodically changed current density.…

We numerically investigate thermal transport at solid-solid interfaces with graded intermediate layers whose masses vary exponentially from one side to the other. Using Non-Equilibrium Green's Function and Non-Equilibrium Molecular Dynamics…

Phonons, the quanta of lattice vibrations, are primary heat carriers for semiconductors and dielectrics. The demand of effective phonon manipulation urgently emerges, because the thermal management is crucial for the ongoing development of…

Heat transfer across interfaces of graphene and polar dielectrics (e.g. SiO2) could be mediated by direct phonon coupling, as well as electronic coupling with remote interfacial phonons (RIPs). To understand the relative contribution of…

Mesoscale and Nanoscale Physics · Physics 2016-09-02 Yee Kan Koh , Austin S. Lyons , Myung-Ho Bae , Bin Huang , Vincent E. Dorgan , David G. Cahill , Eric Pop

Fine-tuning the functional properties of nanomaterials is crucial for technological applications. Superlattices, characterized by periodic repetitions of two or more materials in different dimensions, have emerged as a promising area of…

Through the integration of the power spectral density, we obtain temperature profiles of both multi-segment harmonic and anharmonic systems, showing the presence of an anomalous negative temperature gradient inside the interfacial segment.…

Statistical Mechanics · Physics 2017-12-20 Yue Liu , Dahai He

Accurately modeling interfacial thermal transport in van der Waals heterostructures is challenging due to the limited availability of interlayer interaction potentials. We develop a pairwise interlayer potential for graphene/germanene van…

Mesoscale and Nanoscale Physics · Physics 2025-08-28 Sapta Sindhu Paul Chowdhury , Sourav Thapliyal , Bheema Lingam Chittari , Santosh Mogurampelly

The topological effects of phonons have been extensively studied in various materials, particularly in the wide-bandgap semiconductor GaN, which has the potential to improve heat dissipation in power electronics due to its intrinsic,…

Materials Science · Physics 2023-10-17 Daosheng Tang

We present the results of classical molecular dynamics simulations to assess the relative contributions to interfacial thermal conductance from inelastic phonon processes at the interface and in the adjacent bulk materials. The simulated…

We study the role of anharmonicity at interfaces with an added intermediate layer designed to facilitate interfacial phonon transport. Our results demonstrate that while in the harmonic limit the bridge may lower the conductance due to…

Lattice-matched GaP layers without extended defects can be grown on Si(001) substrate via a two-step growth procedure, consisting of low-temperature nucleation followed by high-temperature overgrowth. A transient reflectivity experiment on…

Heat transfer enhancement of N-Ga-Al semiconductor heterostructure interfaces is critical for the heat dissipation in GaN-based electronic devices, while the effect of the AlxGa(1-x)N transition layer component concentration and thickness…

Materials Science · Physics 2024-10-14 Wenzhu Luo , Ershuai Yin , Lei Wang , Wenlei Lian , Neng Wang , Qiang Li

Metal-semiconductor interfaces play a central role in micro and nano-electronic devices as heat dissipation or temperature drop across these interfaces can significantly affect device performance. Prediction of accurate thermal boundary…

Materials Science · Physics 2026-03-13 Mayur Singh , Lokanath Patra , Chengyang Zhang , Greg MacDougall , Suman Datta , David Cahill , Satish Kumar

Topological phase transitions occur when the electronic bands change their topological properties, typically featuring the closing of the bandgap. While the influence of topological phase transitions on electronic and optical properties has…

Materials Science · Physics 2021-01-04 Shengying Yue , Bowen Deng , Yanming Liu , Yujie Quan , Runqing Yang , Bolin Liao

The occurrence of thermal transport phenomena is widespread, exerting a pivotal influence on the functionality of diverse electronic and thermo-electric energy-conversion devices. The traditional first-principles theory governing the…

Materials Science · Physics 2026-05-20 Soham Mandal , Manish Jain , Prabal K. Maiti

We investigate the evolution of the cross-plane thermal conductivity $\kappa$ of superlattices (SLs) as interfaces change from perfectly abrupt to totally intermixed, by using non-equilibrium molecular dynamics simulations in combination…

Materials Science · Physics 2019-08-19 Xiaolong Yang , Wu Li

In this study, we employ the atomistic wave-packet method to directly simulate coherent phonon transport and scattering dynamics in an aperiodic superlattice structure with aperiodically arranged interfaces. Our investigation reveals that…

Materials Science · Physics 2024-09-04 Theodore Maranets , Milad Nasiri , Yan Wang

This study investigates the mechanism of enhancing interfacial thermal transport performance in Silicon/Diamond (Si/Diamond) heterostructures using the phonon bridge. A heat transfer model for three-layer heterostructures is developed by…

Materials Science · Physics 2025-07-31 Ershuai Yin , Qiang Li , Wenzhu Luo , Lei Wang

Understanding the phonon behavior in semiconductors from a topological physics perspective provides more opportunities to uncover extraordinary physics related to phonon transport and electron-phonon interactions. While various kinds of…

Materials Science · Physics 2024-12-30 Daosheng Tang