Discrete stochastic simulation of the electrons and holes recombination in the 2d and 3d inhomogeneous semiconductor

Представлены клеточно-автоматные стохастические модели рекомбинации электронов и дырок в неоднородном полупроводнике в двумерном и трёхмерном случаях. Исследована кинетика процесса рекомбинации электронов и дырок в режимах чистой диффузии, диффузии с туннелированием и диффузии частиц при наличии рекомбинационных центров. Изучен характер электронно-дырочных пространственных корреляций, полученных с помощью клеточно-автоматной модели, и связанного с этим формирования сегрегации в 2D- и ЭБ-полупроводниках. Путём численного моделирования вычислены и исследованы основные характеристики процесса рекомбинации: плотности частиц и интенсивность фотолюминесценции. Кроме того, проанализирована зависимость времени выполнения параллельных программ, реализующих клеточно-автоматные модели рекомбинации в двумерном и трёхмерном случаях, от значений таких модельных параметров, как начальная плотность электронно-дырочных пар и размер моделируемой области

Monte Carlo simulation of ultrafast processes in photoexcited semiconductors: Coherent and incoherent dynamics

The ultrafast dynamics of photoexcited carriers in a semiconductor is investigated by using a Monte Carlo simulation. In addition to a ‘‘conventional’’ Monte Carlo simulation, the coherence of the external light field and the resulting coherence in the carrier system are fully taken into account. This allows us to treat the correct time dependence of the generation process showing a time-dependent linewidth associated with a recombination from states off resonance due to stimulated emission. The subsequent dephasing of the carriers due to scattering processes is analyzed. In addition, the simulation contains the carrier-carrier interaction in Hartree-Fock approximation giving rise to a band-gap renormalization and excitonic effects which cannot be treated in a conventional Monte Carlo simulation where polarization effects are neglected. Thus the approach presents a unified numerical method for the investigation of phenomena occurring close to the band gap and those typical for the energy relaxation of hot carriers

Using Quantum Computers for Quantum Simulation

Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described by models which we cannot solve with sufficient accuracy, neither analytically nor numerically with classical computers. Using a quantum computer to simulate such quantum systems has been viewed as a key application of quantum computation from the very beginning of the field in the 1980s. Moreover, useful results beyond the reach of classical computation are expected to be accessible with fewer than a hundred qubits, making quantum simulation potentially one of the earliest practical applications of quantum computers. In this paper we survey the theoretical and experimental development of quantum simulation using quantum computers, from the first ideas to the intense research efforts currently underway.Comment: 43 pages, 136 references, review article, v2 major revisions in response to referee comments, v3 significant revisions, identical to published version apart from format, ArXiv version has table of contents and references in alphabetical orde

On periodically driven quantum systems

Dissertation. We study the topological properties of strongly externally driven quantum non-interacting quantum systems, focussing on the example of the quantum walk and closely related systems

Advances in Fundamental Physics

This Special Issue celebrates the opening of a new section of the journal Foundation: Physical Sciences. Theoretical and experimental studies related to various areas of fundamental physics are presented in this Special Issue. The published papers are related to the following topics: dark matter, electron impact excitation, second flavor of hydrogen atoms, quantum antenna, molecular hydrogen, molecular hydrogen ion, wave pulses, Brans-Dicke theory, hydrogen Rydberg atom, high-frequency laser field, relativistic mean field formalism, nonlocal continuum field theories, parallel universe, charge exchange, van der Waals broadening, greenhouse effect, strange and unipolar electromagnetic pulses, quasicrystals, Wilhelm-Weber’s electromagnetic force law, axions, photoluminescence, neutron stars, gravitational waves, diatomic molecular spectroscopy, information geometric measures of complexity. Among 21 papers published in this Special Issue, there are 5 reviews and 16 original research papers

Diverse applications of the Quantum Walk model in Quantum Information: a theoretical and experimental analysis in the optical framework

Quantum Walks have been a very important model in the last thirty years, after their first definition and rigorous description. The analysis of the many possible variations of their behavior has delivered a plethora of solutions and platforms for the many diverse fields of investigation. The applications of the Quantum Walk model spreads from the development of Quantum Algorithm, to the modeling and simulation of systems of the most diverse nature, such as solid state or biological systems. In general, it helped developing a well-established quantum (or coherent) propagation model, which is useful both inside and outside physics. In this thesis, we focus on the study of disordered Quantum Walks, in order to get better understanding of the inuence of Quantum Walk disordered dynamics to non-classical correlations and propagating quantum information. Afterwards, we generalize this dynamical approach to Quantum Information processing, developing a Quantum Receiver for Quantum State Discrimination featuring a time multiplexing structure and we investigate the potentiality of this Quantum Walk inspired framework in the field of Quantum State Discrimination, through the developing and realization of experimental protocols characterized by increasing complexity. We also report on some apparent deviations from this path, although still aimed at the transfer of our expertise, built in previous investigations, to the study of new models and more complex quantum systems

Shape Evolution of Nanostructures by Thermal and Ion Beam Processing: Modeling & Atomistic Simulations

Single-crystalline nanostructures often exhibit gradients of surface (and/or interface) curvature that emerge from fabrication and growth processes or from thermal fluctuations. Thus, the system-inherent capillary force can initiate morphological transformations during further processing steps or during operation at elevated temperature. Therefore and because of the ongoing miniaturization of functional structures which causes a general rise in surface-to-volume ratios, solid-state capillary phenomena will become increasingly important: On the one hand diffusion-mediated capillary processes can be of practical use in view of non-conventional nanostructure fabrication methods based on self-organization mechanisms, on the other hand they can destroy the integrity of nanostructures which can go along with the failure of functionality. Additionally, capillarity-induced shape transformations are effected and can thereby be controlled by applied fields and forces (guided or driven evolution). With these prospects and challenges at hand, formation and shape transformation of single-crystalline nanostructures due to the system-inherent capillary force in combination with external fields or forces are investigated in the frame of this dissertation by means of atomistic computer simulations. For the exploration (search, description, and prediction) of reaction pathways of nanostructure shape transformations, kinetic Monte Carlo (KMC) simulations are the method of choice. Since the employed KMC code is founded on a cellular automaton principle, the spatio-temporal development of lattice-based N-particle systems (N up to several million) can be followed for time spans of several orders of magnitude, while considering local phenomena due to atomic-scale effects like diffusion, nucleation, dissociation, or ballistic displacements. In this work, the main emphasis is put on nanostructures which have a cylindrical geometry, for example, nanowires (NWs), nanorods, nanotubes etc

Low Energy Ion Beam Synthesis of Si Nanocrystals for Nonvolatile Memories - Modeling and Process Simulations

Metal-Oxide-Silicon Field-Effect-Transistors with a layer of electrically isolated Si nanocrystals (NCs) embedded in the gate oxide are known to improve conventional floating gate flash memories. Data retention, program and erase speeds as well as the memory operation voltages can be substantially improved due to the discrete charge storage in the isolated Si NCs. Using ion beam synthesis, Si NCs can be fabricated along with standard CMOS processing. The optimization of the location and size of ion beam synthesized Si NCs requires a deeper understanding of the mechanisms involved, which determine (i) the built-up of Si supersaturation by high-fluence ion implantation and (ii) NC formation by phase separation. For that aim, process simulations have been conducted that address both aspects on a fundamental level and, on the other hand, are able to avoid tedious experiments. The built-up of a Si supersaturation by high-fluence ion implantation were studied using dynamic binary collision calculations with TRIDYN and have lead to a prediction of Si excess depth profiles in thin gate oxides of a remarkable quality. These simulations include in a natural manner high fluence implantation effects as target erosion by sputtering, target swelling and ion beam mixing. The second stage of ion beam synthesis is modeled with the help of a tailored kinetic Monte Carlo code that combines a detailed kinetic description of phase separation on atomic level with the required degree of abstraction that is necessary to span the timescales involved. Large ensembles of Si NCs were simulated reaching the late stages of NC formation and dissolution at simulation sizes that allowed a direct comparison with experimental studies, e.g. with electron energy loss resolved TEM investigations. These comparisons reveal a nice degree of agreement, e.g. in terms of predicted and observed precipitate morphologies for different ion fluences. However, they also point clearly onto impact of additional external influences as, e.g., the oxidation of implanted Si by absorbed humidity, which was identified with the help of these process simulations. Moreover, these simulations are utilized as a general tool to identify optimum processing regimes for a tailored Si NC formation for NC memories. It is shown that key properties for NC memories as the tunneling distance from the transistor channel to the Si NCs, the NC morphology, size and density can be adjusted accurately despite of the involved degree of self-organization. Furthermore, possible lateral electron tunneling between neighboring Si NCs is evaluated on the basis of the performed kinetic Monte Carlo simulations

Low Energy Ion Beam Synthesis of SiNanocrystals for Nonvolatile Memories – Modeling and Process Simulations

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