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Through advanced quantum mechanical simulations combining electron and phonon transport from first-principles self-heating effects are investigated in n-type transistors with a single-layer MoS2, WS2, and black phosphorus as channel…
We perform a theoretical investigation on the thermal conductivity of single-walled boron nitride nanotubes (SWBNT) using the kinetic theory. By fitting to the phonon spectrum of boron nitride sheet, we develop an efficient and stable…
Ballistic heat transport and second sound propagation in solids is of direct relevance in electronic and energy applications at short length scales and low temperatures. Measurement or calculation of thermal conductivity, which is typically…
Nanoscale defects such as dislocations, have a significant impact on the phonon thermal transport properties in non-metallic materials. To unravel these effects, understanding of defect phonon modes is essential. Herein, at the atomic…
The chemical stability of graphene and other free-standing two-dimensional crystals means that they can be stacked in different combinations to produce a new class of functional materials, designed for specific device applications. Here we…
We theoretically investigate the thermal boundary conductance across metal-nonmetal interfaces in the presence of the electron-phonon coupling not only in metal but also at interface. The thermal energy can be transferred from metal to…
Breaking of spatial inversion symmetry (SIS) induces unique phenomena in condensed matter. Besides the classic examples such as natural optical activity and piezoelectricity, the spin-orbit interaction further enriches the effect of SIS…
Thermal transport, generally mediated by the direct microscopic exchange of kinetic energy via lattice phonons, can also be modified by contributions from additional quasiparticles, such as electrons and magnons. However, a comprehensive…
By way of the nonequilibrium Green's function simulations and first principles calculations, we report that borophene, a single layer of boron atoms that was fabricated recently, possesses an extraordinarily high lattice thermal conductance…
Thermal transport properties of amorphous materials at low temperatures are governed by the interaction between phonons and localized excitations referred to as tunneling two level systems (TLS). The temperature variation of the thermal…
Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…
Using density functional theory calculations with spin-orbit coupling (SOC), we report on the temperature-dependent thermodynamical properties of Pb: electrical resistivity, thermal expansion (TE), heat capacity, bulk modulus and its…
Controlling the direction and magnitude of both heat and electronic currents using rectifiers has significant implications for the advancement of molecular circuit design. In order to facilitate the implementation of new transport phenomena…
Magnetothermal transport in various frustrated magnets exhibits striking field-dependent anomalies that deviate from conventional magnon or phonon transport. To understand such anomalies, we derive an effective spin-phonon Hamiltonian in…
The relaxation of a spatially sinusoidal temperature perturbation in a dielectric crystal at a temperature comparable to or higher than the Debye temperature is investigated theoretically. We assume that most phonons contributing to the…
We present atomistic valence force field calculations of thermal transport in Si nanowires of diameters from 12nm down to 1nm. We show that as the diameter is reduced, the phonon density-of-states and transmission function acquire a finite…
The spin-phonon interaction is the dominant process for spin relaxation in Si, and as thermal transport in Si is dominated by phonons, one would expect spin polarization to influence Si's thermal conductivity. Here we report the…
We have investigated the electrical transport through strained p-Si/Si_{1-x}Ge_x double-barrier resonant tunnelling diodes. The confinement shift for diodes with different well width, the shift due to a central potential spike in a well,…
Damping of phonon momentum suppresses the lattice thermal conductivity (kl) through low energy acoustic-optical phonon interactions. We studied the thermal transport properties and underlying mechanism of phonon interactions in the large…
The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The results…