Related papers: Stochastic approach to phonon-assisted optical abs…
Many recent experiments investigated potential and attractive means of modifying many-body interactions in two-dimensional materials through time-resolved spectroscopy techniques. However, the role of ultrafast phonon-assisted processes in…
The optical absorption spectrum of the three most stable isomers of the Ag11 system was calculated using the time-dependent density functional theory, with the generalized gradient approximation for the exchange and correlation potential,…
The influence of Ga incorporation into cubic In$_2$O$_3$ on the electronic and vibrational properties is discussed for (In$_{1-x}$,Ga$_x$)$_2$O$_3$ alloy films grown by molecular beam epitaxy. Using spectroscopic ellipsometry, a linear…
A complete kinetic modeling of an ionized gas in contact with a surface requires the knowledge of the electron desorption time and the electron sticking coefficient. We calculate the desorption time for phonon-mediated desorption of an…
A detailed theoretical study of the optical absorption in self-assembled quantum dots is presented in this paper. A rigorous atomistic strain model as well as a sophisticated electronic band structure model are used to ensure accurate…
We study the linear optical absorption of bulk semiconductors in the presence of a homogeneous constant (dc) electric field with an approach suitable for including excitonic effects while working with many-band models. The absorption…
We report ab initio calculations of the electronic band structure, the corresponding optical spectra, and the phonon dispersion relations of trigonal alpha-HgS (cinnabar). The calculated dielectric functions are compared with unpublished…
Low-loss nanophotonic resonators have been widely used in fundamental science and applications thanks to their ability to concentrate optical energy. Key for resonator engineering, the total intrinsic loss is easily determined by…
We report on very high enhancement of thin layer's absorption through band-engineering of a photonic crystal structure. We realized amorphous silicon (aSi) photonic crystals, where slow light modes improve absorption efficiency. We show…
The linear absorption spectra in monolayers of transition metal dichalcogenides show pronounced signatures of the exceptionally strong exciton-phonon interaction in these materials. To account for both exciton and phonon physics in such…
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via multiphonon emission. Parameters in the theory, including…
In this paper, we review and substantially develop the recently proposed "Microscopic Response Method", which has been devised to compute transport coefficients and especially associated temperature dependence in complex materials. The…
We present a fully parameter-free density-functional approach for the accurate description of optical absorption spectra of insulators, semiconductors and metals. We show that this can be achieved within time-dependent…
Interfaces play an essential role in phonon-mediated heat conduction in solids, impacting applications ranging from thermoelectric waste heat recovery to heat dissipation in electronics. From the microscopic perspective, interfacial phonon…
Recently, boron arsenide (BAs) has been measured high thermal conductivity in the experiments, great encouraging for the low-power photoelectric devices. Therefore, in the present work, we have systematically investigated the direct and…
We study the interplay of electron-electron and electron-phonon interactions in the course of electron-hole bound state formation for gapped solid state systems. Adapting the essentially approximation-free diagrammatic Monte Carlo method…
A new method for calculating optical absorption spectra within linear-scaling density-functional theory (LS-DFT) is presented, incorporating a scheme for optimizing a set of localized orbitals to accurately represent unoccupied Kohn-Sham…
The electronic structure and optical response of electrically gated bilayer graphene are studied by first-principles approaches. We have obtained the induced band gap that is in good agreement with experiment when the applied electric field…
We report the observation of a phonon bottleneck effect impacting the thermal depopulation of photoexcited shallow defects in high-resistivity silicon. Using time-resolved terahertz (THz) spectroscopy, near-band-gap excitation produces a…
Using the Kubo linear response formalism, we study the effects of intrinsic graphene optical and surface polar phonons (SPPs) on the optical conductivity of doped graphene. We find that inelastic electron-phonon scattering contributes…