相关论文: Anharmonicity strongly enhancing thermal interface…

A central goal of modern materials physics and nanoscience is control of materials and their interfaces to atomic dimensions. For interfaces between polar and non-polar layers, this goal is thwarted by a polar catastrophe that forces an…

An analytical Green's function is developed to study the acoustic scattering by a flat plate with a serrated edge. The scattered pressure is solved using the Wiener-Hopf technique in conjunction with the adjoint technique. It is shown that…

Understanding lattice dynamics and thermal transport in crystalline compounds with intrinsically low lattice thermal conductivity ($\kappa_L$) is crucial in condensed matter physics. In this work, we investigate the lattice thermal…

Thermal conductance of graphene nanoribbons (GNRs) with the width varying from 0.5 to 35 nm is systematically investigated using nonequilibrium Green's function method. Anisotropic thermal conductance is observed with the room temperature…

We investigate thermoelectric transport through interfaces with inelastic scatterings by developing a quantum theory, which has been extensively validated by existing theories. We find that under temperature bias, while a two-terminal…

Towards next-generation spintronics devices, such as computer memories and logic chips, it is necessary to satisfy high thermal stability, low-power consumption and high spin-polarization simultaneously. Here, from first-principles, we…

Thermal behavior has become a first-order constraint in advanced 2.5D/3D integrated circuits (ICs) and heterogeneous packages. As power densities rise and multiple active dies are vertically integrated, heat removal paths become…

A nonequilibrium Green's functions (NEGF) approach for spatially inhomogeneous, strongly correlated artificial atoms is presented and applied to compute the time-dependent properties while starting from a (correlated) initial few-electron…

Thermal engineering of quantum devices has attracted much attention since the discovery of quantized thermal conductance of phonons. Although easily submerged in numerous excitations in macro-systems, quantum behaviors of phonons manifest…

Defective chalcopyrites have recently emerged as promising thermoelectric materials because their ordered intrinsic vacancies can profoundly reshape both lattice dynamics and electronic structure. Here, we present a comprehensive…

We present a general nonequilibrium Green's function formalism for modeling heat transfer in systems characterized by linear response that establishes the formal algebraic relationships between phonon and radiative conduction, and reveals…

Quantum simulation methods based on density-functional theory are currently deemed unfit to cope with atomic heat transport within the Green-Kubo formalism, because quantum-mechanical energy densities and currents are inherently ill-defined…

Microscopic details such as interactions and Fermiology determine the structure of superconducting pairing beyond the spatial symmetry classification along irreducible point group representations. From the effective pairing vertex, the…

With the rapidly increasing integration density and power density in nanoscale electronic devices, the thermal management concerning heat generation and energy harvesting becomes quite crucial. Since phonon is the major heat carrier in…

This paper explores the transport properties of aluminum-carbon composite material via ab initio methods. Interfacial and electronic dynamics of the aluminum-graphene interface structure were investigated using models of amorphous graphene…

We investigate the role of quantum coherence and higher harmonics resulting from multiple-path interference in nonlinear thermoelectricity in a two-terminal triangular triple-dot Aharonov-Bohm (AB) interferometer. We quantify the trade-off…

We study the heat transport due to phonons in nanomechanical structures using a phase space representation of non-equilibrium Green's functions. This representation accounts for the atomic degrees of freedom making it particularly suited…

We study interface thermal resistance (ITR) in a system consisting of two dissimilar anharmonic lattices exemplified by Fermi-Pasta-Ulam (FPU) model and Frenkel-Kontorova (FK) model. It is found that the ITR is asymmetric, namely, it…

Magnon-mediated spin transport across nonmagnetic metal (NM) and ferromagnetic insulator (FI) interface depends critically on electron-magnon coupling. We propose a novel route to enhance electron-magnon coupling dynamically from transport…

The effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using MD simulations. The nanoinclusion arrangement ranges from an aligned sphere array to an…