Simulation Of Carrier Dynamics Research Articles

Variation of Charge Carrier Dynamics for Polycrystalline Perovskite Films by One-Step Solution and Vapor-Deposition Methods.

To date, solution-processing and vapor-deposition fabrication methods have achieved huge successes in high-efficiency perovskite solar cells (PSCs) and satisfy special demanding requirements for diverse application purposes, respectively. Although people realize that the fabrication procedure is crucial in device performance, insightful studies of charge carrier dynamics in perovskite films by different methods still lack. In this work, we compare the carrier behaviors in one-step spin-coated and dual-source coevaporated MAPbI3 perovskite films by combining time-resolved photoluminescence spectroscopy and carrier dynamics simulation. We suggest that strains, lattice orientations, and defects at buried side of perovskite films, which are associated with different preparation processes, lead to variations in carrier behaviors. Hence fabrication of perovskite layers should be elaborately designed in order to satisfy the needs of different carrier behaviors in specified device configurations of PSCs such as smooth planar or textured monolithic tandem structures.

Investigation of THz Radiation from Longitudinal Optical Phonon- Plasmon Coupling in p-i-n Diodes

Background: Terahertz radiation (THz) in infrared domain at room temperature has many applications in science and technology, especially in the technology of analyzing and processing image. This paper introduces a relatively simple method to investigate the Terahertz radiation from the coupling of Longitudinal Optical (LO) phonon and coherent plasmon in p-i-n diode structure. The frequency spectra are found from the Fast Fourier Transform (FFT) of the voltage between two neighboring points in the insulating region of this diode. Numerical calculations have been applied for GaAs semiconductor device with the photo-excited carrier density ranging from 17 1.0×10 cm-3 to 18 3.0×10 cm-3 and the insulating layer size of 500 nm. Methods: In order to study of the coupling of LO phonon in p-i-n diode based on the EMC simulations, the equation of density vibration is solved simultaneously with the simulation of carrier dynamics, this is performed with spatial resolution of 1A° and time resolution of 0.20 fs . We solve the Poisson’s equation to derive the potentials along the x-axis in both cases with and without taking into account the coupling. The frequency spectrum derived from the FFT of the voltage of two layers separated by a distance 10 nm in insulating layer (i). Results: The frequency spectrum derived from the Fourier transform of the voltage between two neighboring points with and without LO phonon–plasmon coupling is shown. We can easily observe the existence of the modes which are close to the frequency values of bulk semiconductor. It should be noted that, our calculations are reasonable agreement with experiments measured by the Ibanez et al in Phys. Rev. B 69 (7), 075314 (2004). Conclusion: In this paper, we present a relatively simple approach to investigate the THz radiation from the coupling of LO phonon-plasmon in p-i-n diode structure by taking the FFT of the voltage of two neighboring points in insulating semiconductor region. The voltage is calculated through the electric potentials which relate to the charge density via Poisson’s equation. Numerical calculations have been performed for GaAs semiconductor device with carrier density ranging from 17 1.0×10 cm-3 to 18 3.0×10 cm-3. Our simulations calculations show that with appropriate photoexcited carrier density, two strong coupling LO phonon-plasmon coherent modes are appear.

Influence of negative-U centers related carrier dynamics on donor-acceptor-pair emission in fluorescent SiC

E 1/E2 defects are the typical negative-U centers in n-type 6H silicon carbide (SiC). They are the main contributors to non-radiative recombination, which limits the carrier lifetime. In this study, two fluorescent 6H silicon carbide (f-SiC) samples and one bulk substrate were characterized via time-resolved photoluminescence (TRPL) and static photoluminescence (PL) measurements, where all the samples were nitrogen-boron co-doped 6H n-type. The existence of E1/E2 defects, which caused the diminution of the internal quantum efficiency (IQE) and luminescence intensity of each sample, was confirmed by applying a carrier dynamics model based on negative-U centers. The carrier dynamics simulation reveals that the density of the E1/E2 defects in bulk 6H SiC is two orders of magnitude higher than that of the f-SiC sample, causing much lower PL intensity in the bulk substrate compared to the two f-SiC samples. The IQE of the two f-SiC samples was extracted from the corresponding TRPL results, where the contrast between their IQE was further confirmed by the related PL measurement results. The slight difference in IQE between the two f-SiC samples was attributed to slightly different E1/E2 defect concentrations. On the other hand, by implementing a steady-state donor-acceptor-pair (DAP) recombination calculation, it was found that the f-SiC sample with lower IQE had a higher DAP transition probability due to the higher doping level. This prompted further optimizations in the f-SiC crystal growth conditions in order to decrease the E1/E2 defects while maintaining the correct doping parameters.

Two dimensional numerical simulations of carrier dynamics during time-resolved photoluminescence decays in two-photon microscopy measurements in semiconductors

We use two-dimensional numerical simulations to analyze high spatial resolution time-resolved spectroscopy data. This analysis is applied to two-photon excitation time-resolved photoluminescence (2PE-TRPL) but is broadly applicable to all microscopic time-resolved techniques. By solving time-dependent drift-diffusion equations, we gain insight into carrier dynamics and transport characteristics. Accurate understanding of measurement results establishes the limits and potential of the measurement and enhances its value as a characterization method. Diffusion of carriers outside of the collection volume can have a significant impact on the measured decay but can also provide an estimate of carrier mobility as well as lifetime. In addition to material parameters, the experimental conditions, such as spot size and injection level, can impact the measurement results. Although small spot size provides better resolution, it also increases the impact of diffusion on the decay; if the spot size is much smaller than the diffusion length, it impacts the entire decay. By reproducing experimental 2PE-TRPL decays, the simulations determine the bulk carrier lifetime from the data. The analysis is applied to single-crystal and heteroepitaxial CdTe, material important for solar cells, but it is also applicable to other semiconductors where carrier diffusion from the excitation volume could affect experimental measurements.

Spin and energy relaxation in germanium studied by spin-polarized direct-gap photoluminescence

Spin orientation of photoexcited carriers and their energy relaxation are investigated in bulk Ge by studying spin-polarized recombination across the direct band gap. The control over parameters such as doping and lattice temperature is shown to yield a high polarization degree, namely larger than 40$%$, as well as a fine tuning of the angular momentum of the emitted light with a complete reversal between right- and left-handed circular polarization. By combining the measurement of the optical polarization state of band-edge luminescence and Monte Carlo simulations of carrier dynamics, we show that these very rich and complex phenomena are the result of the electron thermalization and cooling in the multivalley conduction band of Ge. The circular polarization of the direct-gap radiative recombination is indeed affected by energy relaxation of hot electrons via the $X$ valleys and the Coulomb interaction with extrinsic carriers. Finally, thermal activation of unpolarized $L$ valley electrons accounts for the luminescence depolarization in the high temperature regime.

Non-Markovian stochastic Schrödinger equation at finite temperatures for charge carrier dynamics in organic crystals

A new non-Markovian stochastic Schrödinger equation at finite temperatures is presented to correctly describe charge carrier dynamics in organic molecular crystals. The electron-phonon interactions in both site energies and electronic couplings are incorporated by the time-dependent complex-valued random fluctuations which are generated from corresponding spectral density functions. The approach is thus easily extended to investigate coherent-to-hopping charge transfer in systems with thousands of molecular sites. The capability of present approach is demonstrated by numerical simulations of carrier dynamics in the spin-boson model and a realistic Fenna-Matthews-Olson complex. The results manifest that the non-Markovian effect and complex-valued random forces are essential to guarantee the detailed balance. In an application to a long-chain donor-acceptor system, it is also interesting to find a property of coherent-to-hopping charge transfer from temperature dependence of diffusion coefficients.

Simulation of fluence-dependent photocurrent in terahertz photoconductive receivers

A semi-classical Monte Carlo simulation of carrier dynamics in photoconductive detectors of terahertz (THz) radiation is presented. We have used this simulation to elucidate the importance of carrier trapping in the operation of photoconductive detectors. Simulations of the detection of single-cycle THz pulses by photoconductive antennas based on GaAs with trap densities between 2 × 1017 and 2 × 1018 cm−3 are presented. We show that the high frequency (>1 THz) spectral response of photoconductive devices decreases with increasing excitation fluence. Our simulations reveal that this effect is a direct consequence of the saturation of trapping centres

Three-dimensional carrier-dynamics simulation of terahertz emission from photoconductive switches

A semi-classical Monte Carlo model for studying three-dimensional carrier dynamics in photoconductive switches is presented. The model was used to simulate the process of photoexcitation in GaAs-based photoconductive antennas illuminated with pulses typical of mode-locked Ti:Sapphire lasers. We analyzed the power and frequency bandwidth of THz radiation emitted from these devices as a function of bias voltage, pump pulse duration and pump pulse location. We show that the mechanisms limiting the THz power emitted from photoconductive switches fall into two regimes: when illuminated with short duration (<40 fs) laser pulses the energy distribution of the Gaussian pulses constrains the emitted power, while for long (>40 fs) pulses, screening is the primary power-limiting mechanism. A discussion of the dynamics of bias field screening in the gap region is presented. The emitted terahertz power was found to be enhanced when the exciting laser pulse was in close proximity to the anode of the photoconductive emitter, in agreement with experimental results. We show that this enhancement arises from the electric field distribution within the emitter combined with a difference in the mobilities of electrons and holes.

Carrier dynamics in ion-implanted GaAs studied by simulation and observation of terahertz emission

We have studied terahertz (THz) emission from arsenic-ion implanted GaAs both experimentally and using a three-dimensional carrier dynamics simulation. A uniform density of vacancies was formed over the optical absorption depth of bulk GaAs samples by performing multi-energy implantations of arsenic ions (1 and 2.4MeV) and subsequent thermal annealing. In a series of THz emission experiments the frequency of peak THz power was found to increase significantly from 1.4 to 2.2THz when the ion implantation dose was increased from 10^13 to 10^16 cm-3. We used a semi-classical Monte-Carlo simulation of ultra-fast carrier dynamics to reproduce and explain these results. The effect of the ion-induced damage was included in the simulation by considering carrier scattering at neutral and charged impurities, as well as carrier trapping at defect sites. Higher vacancy concentrations and shorter carrier trapping times both contributed to shorter simulated THz pulses, the latter being more important over experimentally realistic parameter ranges.

Real Single Quantum Well Laser Frequency Response

A new advanced model of the single quantum well laser (SQWL), based on tree-level rate equations, was developed from SPICE simulations of carrier dynamics emphasizing carrier leakage effect in SQWLs are presented. Different frequency responses are obviously apparent.

Quasi-three-dimensional simulation of carrier dynamics in quantum well DFB lasers

A quasi-3D simulation for quantum well (QW) distributed feedback (DFB) laser diodes is presented. It takes into account both longitudinal effects such as the nonuniformity of the optical intensity, local gain, and spontaneous emission, and lateral effects such as current spreading, quantum carrier capture, and quantum carrier heating. The simulation is performed by solving several 2D cross-sections using Minilase II and a 1D longitudinal solver in a self-consistent fashion. As an example, an analysis of spatial hole burning in a λ/4 phase shifted DFB laser is given. It is shown that spatial hole burning (SHB) results in a local gain saturation, and is mainly restricted to electrons and holes within the QW. Investigations of electron heating at high power show that the temperature distribution of the bound electrons and the LO phonons in the QW is insignificant, and only slightly influenced by SHB.

Chaotic current noise in a two-valley semiconductor system of the Gunn instability

Carrier-dynamics simulation has been performed to investigate the low-frequency current noise mechanism in a two-valley semiconductor. It is observed that the current noise is caused by the chaotic intervalley transfer of carriers in the accumulation layer of a high-field domain.