相关论文: A comparative study of ab initio nonradiative reco…
Nonradiative carrier recombination at semiconductor deep centers is of great importance to both fundamental physics and device engineering. In this letter, we provide a revised analysis of K. Huang's original nonradiative multi-phonon (NMP)…
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…
Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonrad code that implements the first-principles approach of…
As a typical nonradiative multiphonon transition in semiconductors, carrier capture at defects is critical to the performance of semiconductor devices. Its transition rate is usually calculated using the equal-mode approximation, which…
Trap-assisted nonradiative recombination has been shown to limit the efficiency of optoelectronic devices. While substitutional carbon ($\mathrm{C_N}$) has been suggested to be a nonradiative recombination center in GaN devices, a complete…
We present a methodology to calculate radiative carrier capture coefficients at deep defects in semiconductors and insulators from first principles. Electronic structure and lattice relaxations are accurately described with hybrid density…
The ABC model has been widely used to describe the carrier recombination rate, in which the rate of non-radiative recombination assisted by deep-level defects is assumed to depend linearly on excess carrier density $\Delta n$, leading to a…
Generation-recombination interband transitions via acoustic phonons are allowed in a disordered graphene because of violation of the energy-momentum conservation requirements. The generation-recombination processes are analyzed for the case…
We present a general coupled electron-phonon Boltzmann transport equations (BTEs) scheme designed to capture the mutual drag of the two interacting systems. By combining density functional theory based first principles calculations of…
A nonperturbative dynamical coupling approach based on tight-binding molecular dynamics is used to evaluate the electron-ion (electron-phonon) coupling parameter in irradiated semiconductors as a function of the electronic temperature up to…
We present an approach to calculate ballistic phonon transport that combines the atomistic Green's function (AGF) method with ab initio results. For the inter atomic potential we use the harmonic approach. The equilibrium positions of the…
Trap-assisted nonradiative recombination is known to limit the efficiency of optoelectronic devices, but the conventional multi-phonon emission (MPE) process fails to explain the observed loss in wide-band-gap materials. Here we highlight…
Semi-analytical predictions for the transients of spin-dependent transport and recombination rates through localized states in semiconductors during coherent electron spin excitation are made for the case of weakly spin-coupled charge…
The study of phonon coupling in doped semiconductors via electrical transport measurements is challenging due to unwanted temperature-induced effects such as dopant ionisation and parallel conduction. Here, we study phonon scattering in 2D…
Platinum (Pt) is widely used for carrier-lifetime control in silicon power devices, yet the microscopic nonradiative recombination mechanism of the substitutional platinum ($\text{Pt}_\text{Si}$) dopant remains debated. Using…
Transition of an electron from a free to a bound state is critical in determining the qualitative shape of the spectrum in high-order harmonic generation (HHG), and in tomographic imaging of orbitals. We calculate and compare the…
The integration of advanced optoelectronic properties in nanoscale devices of group III nitride can be realized by understanding the coupling of charge carriers with optical excitations in these nanostructures. The native defect induced…
The HeH$^+$ cation undergoes dissociative recombination with a free electron to produce neutral He and H fragments. We present calculations using ab initio quantum defects and Fano's rovibrational frame transformation technique, along with…
We have expressed the nonlinear optical absorption of a semiconductor in terms of its linear spectrum. We determined that the two-photon absorption coefficient in a strong DC-electric field of a direct gap semiconductor can be expressed as…
Here we report new ${\it ab initio}$ calculations of the effective recombination coefficients for the \ion{N}{ii} recombination spectrum. We have taken into account the density dependence of the coefficients arising from the relative…