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Topological semimetals are currently attracting increasing interest due to their potential applications in topological qubits and low-power electronics, which are closely related to their thermal transport properties. In this work, by…
Topological phonon states in crystalline materials have attracted significant research interests due to their importance for fundamental physical phenomena, yet their implication on phonon thermal transport remains largely unexplored. Here,…
The recent discovery of topology-protected charge transport of ultimate thinness on surfaces of three-dimensional topological insulators (TIs) are breaking new ground in fundamental quantum science and transformative technology. Yet a…
We have investigated electronic structures and phonon spectra of newly discovered isostructural superconductors LaNiBN (T_c = 4.1 K) and LaPtBN (T_c = 6.7 K). We have found that their electronic structures are substantially…
Measurements of thermal diffusivity in several insulators have been shown to reach a Planckian bound on thermal transport that can be thought of as the limit of validity of semiclassical phonon scattering. Beyond this regime, the heat…
The Boltzmann transport equation is one of the most relevant framework to study the heat transport at the nanoscale, beyond the diffusive regime and up to the micrometer-scale. In the general case of three-dimensional devices, the particle…
Semi-Empirical Tight Binding (TB) is known to be a scalable and accurate atomistic representation for electron transport for realistically extended nano-scaled semiconductor devices that might contain millions of atoms. In this paper an…
By using non-equilibrium molecular dynamics simulations(NEMD), the modulation on temperature dependence of thermal conductivity of graphene phononic crystals (GPnCs) are investigated. It is found that the temperature dependence of thermal…
Superconducting transition temperatures Tc of the YBCO film surface and of the YBCO film/substrate interface were measured inductively. It was observed that the interface- Tc is always higher then the surface - Tc. However deposition of…
Heat transfer in nanocomposite materials has attracted great interest for various applications. Multilayer structures provide an important platform to study interfacial thermal transport and to engineer materials with ultralow thermal…
Traditional models of interfacial phonon scattering, including the acoustic mismatch model (AMM) and diffuse mismatch model (DMM), take into account the bulk properties of the material surrounding the interface, but not the atomic structure…
Interfaces formed by two different organic semiconductors often exhibit a large conductivity, originating from transfer of charge between the constituent materials. The precise mechanisms driving charge transfer and determining its…
Silicon Carbide (SiC) is a typical material for third-generation semiconductor. The thermal boundary resistance (TBR) of 4H-SiC/SiO2 interface, was investigated by both experimental measurements and theoretical calculations. The structure…
Engineering materials with high thermal conductivity are of fundamental interest for efficiently dissipating heat in micro/nanoelectronics. Using first principles computations we report an ultra-high thermal conductivity of 2090 Wm-1K-1…
Grain boundaries (GBs) strongly influence thermal transport in crystalline solids by disrupting lattice periodicity and scattering phonons. Due to the atomic-level disorder and structural complexity, a fundamental understanding of how…
Understanding phonon transport across heterojunctions is important to achieve a wide range of thermal transport properties. Using the McKelvey-Shockley flux method with first-principles modeling, we theoretically investigate the phonon…
Topological insulators, which allow edge or interface waves but forbid bulk waves, have revolutionized our scientific cognition of acoustic/elastic systems. Due to their nontrivial topological characteristics, edge (interface)waves are…
Many complex crystals show a flattening or even increasing lattice thermal conductivity at high temperatures, which deviates from the traditional 1/T decay trend given by conventional phonon theory. In this work, we predict the thermal…
The existed theories and methods for calculating interfacial thermal conductance of solid-solid interface lead to diverse values that deviate from experimental measurements. In this letter, We propose a model to estimate the ITC at high…
Polycrystalline solid-state ionic conductors (PolySSICs) are key energy materials for all-solid-state Li-ion batteries (LIBs). However, achieving room-temperature ionic conductivity comparable to that of liquid electrolytes ($\sigma \sim…