Related papers: Hole mobility of strained GaN from first principle…
Mode space approach has been used so far in NEGF to treat phonon scattering for computational efficiency. Here we perform a more rigorous quantum transport simulation in real space to consider interband scatterings as well. We show a…
4H-Silicon Carbide (4H-SiC) possesses a high Baliga figure of merit, making it a promising material for power electronics. However, its applications are limited by its low hole mobility. Herein, we found that the hole mobility of 4H-SiC is…
We present a comprehensive ab initio study of the influence of band structure corrections, particularly the electron effective mass, on the phonon-limited electron drift and Hall mobilities of GaAs. Our approach is based on the DFT+$U$…
The calculated electron mobility for a graphene nanoribbon as a function of applied electric field has been found to have a large threshold field for entering a nonlinear transport regime. This field depends on the lattice temperature,…
Bulk AlN possesses high thermal conductivity due to long phonon mean-free-paths, high group velocity, and long lifetimes. However, the thermal transport scenario becomes very different in a thin AlN film due to phonon-defect and…
Ballistic transport occurs whenever electrons propagate without collisions deflecting their trajectory. It is normally observed in conductors with a negligible concentration of impurities, at low temperature, to avoid electron-phonon…
Charge carrier mobility is at the core of semiconductor materials and devices optimization, and Hall measurement is one of the most important techniques for its characterization. The Hall factor, defined as the ratio between Hall and drift…
A study of the mobility of n-doped wurtzite and zincblende ZnS is reported. We have determined nonequilibrium thermodynamic state of the ZnS, driven far away from equilibrium by a strong electric field, in the steady state. The dependence…
We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS$_2$. The material properties, including the electron-phonon interaction, are calculated from first-principles.…
The half-Heusler (hH) compounds are currently considered promising thermoelectric (TE) materials due to their favorable thermopower and electrical conductivity. Accurate estimates of these properties are therefore highly desirable and…
Electron transport studies for AlGaN/GaN two-dimensional electron gases is presented. Novel defects in the III-V nitrides are treated theoretically for two-dimensional transport. Theory of electron scattering by charged dislocation lines is…
We probe the accuracy limit of {\it ab initio} calculations of carrier mobilities in semiconductors, within the framework of the Boltzmann transport equation. By focusing on the paradigmatic case of silicon, we show that fully predictive…
Single walled carbon nanotubes with Pd ohmic contacts and lengths ranging from several microns down to 10 nm are investigated by electron transport experiments and theory. The mean free path (mfp) for acoustic phonon scattering is estimated…
We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…
The semiconductor BAs has drawn significant interest due to experimental reports of simultaneous high thermal conductivity and ambipolar charge mobility. The \textit{ab~initio} prediction of high electron and hole mobility assumed the…
Electrical properties of contact to p-type nitride semiconductor devices, based on gallium nitride were simulated by ab initio and by drift-diffusion calculations. The contact electric properties are shown to be dominated by electron…
The scattering of lattice excitations (phonons) with the photoexcited charge carriers is of a major concern in optoelectronic devices. Here, the resonant Raman scattering will be utilized to study an exciton-phonon interaction in GaN…
Electron mobility due to electron-phonon interaction is investigated for fully fluorinated/hydrogenated zig-zag carbon nanotubes containing one-dimensional alternating chains of carbon atoms with $\pi$-bonds. The behavior of mobility…
We consider electron(hole)-phonon coupling in crystalline organic semiconductors, using naphthalene for our case study. Employing a first-principles approach, we compute the changes in the self-consistent Kohn-Sham potential corresponding…
We describe a new approach to compute the electron-phonon self-energy and carrier mobilities in semiconductors. Our implementation does not require a localized basis set to interpolate the electron-phonon matrix elements, with the advantage…