Microscopic Modeling of Novel Semiconductor Heterostructure Properties

Nowadays, semiconductor-based technology is part of everyday lives of many people around the world. This is most visible in the frequent use of computers and smartphones. By using clouds, messenger services and social networks among other things, enormous amounts of data are transmitted globally...

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1. Verfasser: Weseloh, Maria Josephine
Beteiligte: Koch, Stephan W. (Prof. Dr.) (BetreuerIn (Doktorarbeit))
Format: Dissertation
Sprache:Englisch
Veröffentlicht: Philipps-Universität Marburg 2020
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Zusammenfassung:Nowadays, semiconductor-based technology is part of everyday lives of many people around the world. This is most visible in the frequent use of computers and smartphones. By using clouds, messenger services and social networks among other things, enormous amounts of data are transmitted globally. For this purpose, laser signals that propagate through fiber-optic cables are being used. At this, the wavelengths that can be used for transmission, are determined by the absorption and dispersion properties of the propagation medium. Wavelengths in the near-infrared range of the electromagnetic spectrum are suited for this purpose. Conventional light-emitting heterostructures that consist of nanometer-thick semiconductor layers and rely on spatially direct recombination of charge carriers in the same layer, are not ideally suited for emission in the near-infrared. This stems from Auger-losses, which increase with increasing wavelength and are significant for bandgap energies corresponding to wavelengths in the near-infrared. Hence, alternatives are needed. Promising alternatives are provided by heterostructures that rely on spatially indirect recombination of charge carriers. In such heterostructures, electrons and holes are confined in layers of different semiconductor materials. This allows to use semiconductor materials with comparatively large bandgaps and to still generate light with a wavelength in the near-infrared of the electromagnetic spectrum. Moreover, using two different materials for charge carrier confinement increases the number of possible designs for such structures and thus offers more flexibility. Generally, the confinement of electrons and holes in different semiconductor layers is accompanied by lowered electron-hole wavefunction overlap in comparison to structures that rely on spatially direct charge carrier recombinations. This leads to lowered optical transition rates and can be compensated to a certain extent by careful optimization of the optical properties of these heterostructures. This thesis presents research results that contribute to the optimization of heterostructures that rely on spatially indirect recombination of electrons and holes. For this purpose, it was focused on heterostructures where (InGa)As was used to achieve electron confinement and Ga(AsSb) was used to achieve hole confinement. At this, both materials were grown on GaAs as a substrate. The results presented in this thesis are either based on calculations using the reliable many-body theory from the semiconductor Bloch and luminescence equations in combination with the k.p-theory or on density functional theory calculations. In many respects, the results gained from the calculations replace the investigative, experimental growth and subsequent experimental characterization of properties of such heterostructures. In the investigated heterostructures, charge transfer and recombination processes take place through internal interfaces. Properties of the internal interfaces can be studied using interface specific excitations. One of those is the charge-transfer exciton. This thesis presents certain results from a detailed experiment-theory investigation of the formation and decay of charge transfer excitons. The presented results are based on bandstructure calculations with the k.p-theory and the semiconductor Bloch approach. The density functional theory calculations carried out in the framework of this thesis were used to calculate the valence band offsets between GaAs and Ga(AsSb) in strained heterostructures. This allows for drawing conclusions on the band alignment in the corresponding heterostructure. During the density functional calculations the problem appeared that the Ga(AsSb) bandgaps vanish at certain Sb concentrations in the ternary semiconductor compound. Related to this, for Sb concentrations exceeding a critical value the calculated valence band offsets diverged. These problems could be resolved by introducing the method of half-occupations to the calculations of the valence band offsets. The presented approach for the calculation of valence band offsets has the potential to be applicable for other semiconductor materials as well.
Umfang:108 Seiten
DOI:10.17192/z2020.0497