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- ItemOperation mechanism of high performance organic permeable base transistors with an insulated and perforated base electrode(Melville, NY : American Inst. of Physics, 2016) Kaschura, Felix; Fischer, Axel; Klinger, Markus P.; Doan, Duy Hai; Koprucki, Thomas; Glitzky, Annegret; Kasemann, Daniel; Widmer, Johannes; Leo, KarlThe organic permeable base transistor is a vertical transistor architecture that enables high performance while maintaining a simple low-resolution fabrication. It has been argued that the charge transport through the nano-sized openings of the central base electrode limits the performance. Here, we demonstrate by using 3D drift-diffusion simulations that this is not the case in the relevant operation range. At low current densities, the applied base potential controls the number of charges that can pass through an opening and the opening is the current limiting factor. However, at higher current densities, charges accumulate within the openings and in front of the base insulation, allowing for an efficient lateral transport of charges towards the next opening. The on-state in the current-voltage characteristics reaches the maximum possible current given by space charge limited current transport through the intrinsic semiconductor layers. Thus, even a small effective area of the openings can drive huge current densities, and further device optimization has to focus on reducing the intrinsic layer thickness to a minimum.
- ItemFrom atomistic tight-binding theory to macroscale drift–diffusion: Multiscale modeling and numerical simulation of uni-polar charge transport in (In,Ga)N devices with random fluctuations(Melville, NY : American Inst. of Physics, 2021) O’Donovan, Michael; Chaudhuri, Debapriya; Streckenbach, Timo; Farrell, Patricio; Schulz, Stefan; Koprucki, ThomasRandom alloy fluctuations significantly affect the electronic, optical, and transport properties of (In,Ga)N-based optoelectronic devices. Transport calculations accounting for alloy fluctuations currently use a combination of modified continuum-based models, which neglect to a large extent atomistic effects. In this work, we present a model that bridges the gap between atomistic theory and macroscopic transport models. To do so, we combine atomistic tight-binding theory and continuum-based drift–diffusion solvers, where quantum corrections are included via the localization landscape method. We outline the ingredients of this framework in detail and present first results for uni-polar electron transport in single and multi- (In,Ga)N quantum well systems. Overall, our results reveal that both random alloy fluctuations and quantum corrections significantly affect the current–voltage characteristics of uni-polar electron transport in such devices. However, our investigations indicate that the importance of quantum corrections and random alloy fluctuations can be different for single and multi-quantum well systems.
- ItemSymmetries in transmission electron microscopy imaging of crystals with strain(London : [Verlag nicht ermittelbar], 2022) Koprucki, Thomas; Maltsi, Anieza; Mielke, AlexanderTransmission electron microscopy (TEM) images of strained crystals often exhibit symmetries, the source of which is not always clear. To understand these symmetries, we distinguish between symmetries that occur from the imaging process itself and symmetries of the inclusion that might affect the image. For the imaging process, we prove mathematically that the intensities are invariant under specific transformations. A combination of these invariances with specific properties of the strain profile can then explain symmetries observed in TEM images. We demonstrate our approach to the study of symmetries in TEM images using selected examples in the field of semiconductor nanostructures such as quantum wells and quantum dots.
- ItemEfficient Current Injection Into Single Quantum Dots Through Oxide-Confined p-n-Diodes(New York, NY : IEEE, 2016) Kantner, Markus; Bandelow, Uwe; Koprucki, Thomas; Schulze, Jan-Hindrik; Strittmatter, Andre; Wunsche, Hans-JurgenCurrent injection into single quantum dots embedded in vertical p-n-diodes featuring oxide apertures is analyzed in the low-injection regime suitable for single-photon emitters. The experimental and theoretical evidence is found for a rapid lateral spreading of the carriers after passing the oxide aperture in the conventional p-i-n-design. By an alternative design employing p-doping up to the oxide aperture, the current spreading can be suppressed resulting in an enhanced current confinement and increased injection efficiencies, both, in the continuous wave and under pulsed excitation.
- ItemNumerical simulation of TEM images for In(Ga)As/GaAs quantum dots with various shapes(Dordrecht [u.a.] : Springer Science + Business Media B.V, 2020) Maltsi, Anieza; Niermann, Tore; Streckenbach, Timo; Tabelow, Karsten; Koprucki, ThomasWe present a mathematical model and a tool chain for the numerical simulation of TEM images of semiconductor quantum dots (QDs). This includes elasticity theory to obtain the strain profile coupled with the Darwin–Howie–Whelan equations, describing the propagation of the electron wave through the sample. We perform a simulation study on indium gallium arsenide QDs with different shapes and compare the resulting TEM images to experimental ones. This tool chain can be applied to generate a database of simulated TEM images, which is a key element of a novel concept for model-based geometry reconstruction of semiconductor QDs, involving machine learning techniques.
- ItemCorrection to: Numerical simulation of TEM images for In(Ga)As/GaAs quantum dots with various shapes(Dordrecht [u.a.] : Springer Science + Business Media B.V, 2021) Maltsi, Anieza; Niermann, Tore; Streckenbach, Timo; Tabelow, Karsten; Koprucki, ThomasCorrection to: Optical and Quantum Electronics (2020) 52:257 https://doi.org/10.1007/s11082-020-02356-y
- ItemMultiband k $cdot$ p model and fitting scheme for ab initio-based electronic structure parameters for wurtzite GaAs(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Marquardt, Oliver; Caro, Miguel A.; Koprucki, Thomas; Mathé, Peter; Willatzen, MortenWe develop a 16-band k · p model for the description of wurtzite GaAs, together with a novel scheme to determine electronic structure parameters for multiband k · p models. Our approach uses low-discrepancy sequences to fit k · p band structures beyond the eight-band scheme to most recent ab initio data, obtained within the framework for hybrid-functional density functional theory with a screened-exchange hybrid functional. We report structural parameters, elastic constants, band structures along high-symmetry lines, and deformation potentials at the Γ point. Based on this, we compute the bulk electronic properties (Γ point energies, effective masses, Luttinger-like parameters, and optical matrix parameters) for a ten-band and a sixteen-band k · p model for wurtzite GaAs. Our fitting scheme can assign priorities to both selected bands and k points that are of particular interest for specific applications. Finally, ellipticity conditions can be taken into account within our fitting scheme in order to make the resulting parameter sets robust against spurious solutions.
- ItemMulti-dimensional modeling and simulation of semiconductor nanophotonic devices(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2019) Kantner, Markus; Höhne, Theresa; Koprucki, Thomas; Burger, Sven; Wünsche, Hans-Jürgen; Schmidt, Frank; Mielke, Alexander; Bandelow, UweSelf-consistent modeling and multi-dimensional simulation of semiconductor nanophotonic devices is an important tool in the development of future integrated light sources and quantum devices. Simulations can guide important technological decisions by revealing performance bottlenecks in new device concepts, contribute to their understanding and help to theoretically explore their optimization potential. The efficient implementation of multi-dimensional numerical simulations for computer-aided design tasks requires sophisticated numerical methods and modeling techniques. We review recent advances in device-scale modeling of quantum dot based single-photon sources and laser diodes by self-consistently coupling the optical Maxwell equations with semiclassical carrier transport models using semi-classical and fully quantum mechanical descriptions of the optically active region, respectively. For the simulation of realistic devices with complex, multi-dimensional geometries, we have developed a novel hp-adaptive finite element approach for the optical Maxwell equations, using mixed meshes adapted to the multi-scale properties of the photonic structures. For electrically driven devices, we introduced novel discretization and parameter-embedding techniques to solve the drift-diffusion system for strongly degenerate semiconductors at cryogenic temperature. Our methodical advances are demonstrated on various applications, including vertical-cavity surface-emitting lasers, grating couplers and single-photon sources.
- ItemOn the Darwin--Howie--Whelan equations for the scattering of fast electrons described by the Schrödinger equation(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2020) Koprucki, Thomas; Maltsi, Anieza; Mielke, AlexanderThe Darwin-Howie-Whelan equations are commonly used to describe and simulate the scattering of fast electrons in transmission electron microscopy. They are a system of infinitely many envelope functions, derived from the Schrödinger equation. However, for the simulation of images only a finite set of envelope functions is used, leading to a system of ordinary differential equations in thickness direction of the specimen. We study the mathematical structure of this system and provide error estimates to evaluate the accuracy of special approximations, like the two-beam and the systematic-row approximation.
- ItemSymmetries in TEM imaging of crystals with strain(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2022) Koprucki, Thomas; Maltsi, Anieza; Mielke, AlexanderTEM images of strained crystals often exhibit symmetries, the source of which is not always clear. To understand these symmetries we distinguish between symmetries that occur from the imaging process itself and symmetries of the inclusion that might affect the image. For the imaging process we prove mathematically that the intensities are invariant under specific transformations. A combination of these invariances with specific properties of the strain profile can then explain symmetries observed in TEM images. We demonstrate our approach to the study of symmetries in TEM images using selected examples in the field of semiconductor nanostructures such as quantum wells and quantum dots.