Deformation Electron-Phonon Coupling in Disordered Semiconductors and Nanostructures

The mechanisms causing the reduction in lattice thermal conductivity in highly P- and B-doped Si are looked into in detail. Scattering rates of phonons by point defects, as well as by electrons, are calculated from first principles. Lattice thermal conductivities are calculated considering these scattering mechanisms both individually and together. It is found that at low carrier concentrations and temperatures phonon scattering by electrons is dominant and can reproduce the ...

We investigate quantum corrections to the conductivity due to the interference of electron-electron (electron-phonon) scattering and elastic electron scattering in weakly disordered conductors. The electron-electron interaction results in a negative $T^2 \ln T$-correction in a 3D conductor. In a quasi-two-dimensional conductor, $d < v_F/T$ ($d$ is the thickness, $v_F$ is the Fermi velocity), with 3D electron spectrum this correction is linear in temperature and differs from t...

We develop a unified treatment of the piesoelectric coupling between two-dimensional electrons and bulk phonons in both cases of zero and strong magnetic fields, the latter corresponding to even denominator filling fractions. In contrast to the case of coupling via the deformation potential, the leading contributions due to impurity-renormalized electron-phonon vertices are not exactly cancelled by processes of inelastic electron-impurity scattering. Electron energy relaxatio...

Electron-phonon interaction has been well known to create major resistance to electron transport in metals and semiconductors, whereas less studies were directed to its effect on the phonon transport, especially in semiconductors. We calculate the phonon lifetimes due to scattering with electrons (or holes), combine them with the intrinsic lifetimes due to the anharmonic phonon-phonon interaction, all from first-principles, and evaluate the effect of the electron-phonon inter...

Electronic quantum effects in disordered conductors are controlled by the dephasing rate of conduction electrons. This rate is expected to vanish with the temperature. We consider the very intriguing recently reported apparent saturation of this dephasing rate in several systems at very low temperatures. We show that the ``standard model'' of a conductor with static defects can {\em not} have such an effect. However, allowing some dynamics of the defects may produce it.

Electron-defect ($e$-d) interactions govern charge carrier dynamics at low temperature, where they limit the carrier mobility and give rise to phenomena of broad relevance in condensed matter physics. Ab initio calculations of $e$-d interactions are still in their infancy, mainly because they require large supercells and computationally expensive workflows. Here we develop an efficient ab initio approach for computing elastic $e$-d interactions, their associated $e$-d relaxat...

In view of its local character, the semiclassical or Boltzmann theory is intrinsically unable to describe transport phenomena on ultrashort space and time scales, and to this purpose genuine quantum-transport approaches are imperative. By employing a density-matrix simulation strategy recently proposed, we shall demonstrate its power and flexibility in describing quantum-diffusion phenomena in nanoscale semiconductors. In particular, as for the case of carrier-carrier relaxat...

We compute the transient dynamics of phonons in contact with high energy "hot" charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in electronic temperature departs significantly from a single-exponential model at times ranging from 1 ps to 15 ps after electronic excitation, a phenomenon concomitant with the appearance of non-thermal vibrational modes. We demonstrate that ...

The effects of doping on the spectral properties of low doped systems are investigated by means of Coherent Potential Approximation to describe the distributed disorder induced by the impurities and Phonon-Phonon Non-Crossing Approximation to characterize a wide class of electron-phonon interactions which dominate the low-energy spectral features. When disorder and electron-phonon interaction work on comparable energy scales, a strong interplay between them arises, the effect...

Because of high surface-to-volume ratio, the most prominent size effect limiting thermal transport originates from phonon-surface scattering in nanostructures. Herein we propose the mechanism of phonon scattering by the bond strength imperfections on surface of nanostructures, and derive the phonon scattering rate of this mechanism by quantum perturbation theory combining with bond order theory. By incorporating this phonon-surface scattering mechanism to phonon Boltzmann tra...