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The parameter-free computation of charge transport properties of semiconductors is now routine owing to advances in the ab-initio description of the electron-phonon interaction. Many studies focus on the low-field regime in which the…

The ab-initio theory of charge transport in semiconductors typically employs the lowest-order perturbation theory in which electrons interact with one phonon (1ph). This theory is accepted to be adequate to explain the low-field mobility of…

Understanding heat conduction in defective silicon is crucial for electronics and thermoelectrics. Conventional understanding relies on phonon gas picture, treating defects as scattering centers that reduce phonon lifetimes without altering…

Superconductivity at temperatures up to 190 K at high pressures has recently been observed in $H_2S$ and interpreted as conventional BCS-electron-phonon-driven superconductivity.\cite{h2s} Instead we propose that it is another example of…

Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched between two bulk reservoirs. We find that thermal transport in…

Measurements of the drift velocities of electrons and holes as functions of electric field and temperature in high-purity n- and p-type silicon with <100> orientation are presented. The measurements cover electric field values between 2.5…

Thermal transport in solids changes its nature from phonon propagation that suffers from perturbative scattering to thermally activated hops between localized vibrational modes as the level of disorder increases. Models have been proposed…

This review summarizes recent studies of thermal transport in nanoscaled semiconductors. Different from bulk materials, new physics and novel thermal properties arise in low dimensional nanostructures, such as the abnormal heat conduction,…

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…

Si dominates the semiconductor industry material but possesses an abnormally low room temperature hole mobility (505 cm^2/Vs), which is four times lower than that of Diamond and Ge (2000 cm^2/Vs), two adjacent neighbours in the group IV…

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…

The performance of silicon nano-devices at cryogenic temperatures is critical for quantum qubit control circuits and space applications. Using multi-valley Monte Carlo simulations, we investigate electron transport in Si~(110) systems. At…

Recent ab-initio studies of electron transport in GaAs have reported that electron-phonon (e-ph) interactions beyond the lowest order play a fundamental role in charge transport and noise phenomena. Inclusion of the next-leading-order…

While using first-principles-based Boltzmann transport equation approach to predict the thermal conductivity of crystalline semiconductor materials has been a routine, the validity of the approach is seldom tested for high-temperature…

Despite the ubiquity of applications of heat transport across nanoscale interfaces, including integrated circuits, thermoelectrics, and nanotheranostics, an accurate description of phonon transport in these systems remains elusive. Here we…

The effects of very low temperature on the electron transport in a [110] and [100] axially aligned unstrained silicon nanowires (SiNWs) are investigated. A combination of semi-empirical 10-orbital tight-binding method, density functional…

We study nondiffusive thermal transport by phonons at small distances within the framework of the Boltzmann transport equation (BTE) and demonstrate that the transport is significantly affected by the distribution of phonons emitted by the…

The ab-initio theory of low-field electronic transport properties such as carrier mobility in semiconductors is well-established. However, an equivalent treatment of electronic fluctuations about a non-equilibrium steady state, which are…

We determine the size effect on the lattice thermal conductivity of nanoscale wire and multilayer structures formed in and by some typical semiconductor materials, using the Boltzmann transport equation and focusing on the Knudsen flow…

Metallic transition-metal nitrides (TMNs) are promising conductive ceramics for many applications, whose thermal transport is of great importance in device design. It is found metallic TiN and HfN hold anomalous thermal transport behaviors…