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Institute
- FG Experimentalphysik und funktionale Materialien (2) (remove)
Historically, Ge is one of the oldest materials in the semiconductor industry and its (001) surface has been the subject of extensive investigations by photoelectron spectroscopy. I am going to challenge the predominant attribution of a semi-conducting nature of the Ge(001) surface in this thesis. My investigations reveal the presence of a Ge(001) surface state above the Fermi-level, occupied at room temperature. Employing time- and temperature-dependent angle-resolved photoelectron spectroscopy, I will demonstrate that the presence of this surface state is evidence for the conducting nature of the surface at room temperature.
Sparked by the remarkable properties of the GeSn-alloy and a trend towards Ge-Sn-related multiquantum well fabrication, I investigate the surface electronic structure of Ge(001) after adsorption and incorporation of Sn. With an in-depth analysis of surface core-level shifts, I will extend the growth model of the Sn wetting layer formation by also detailing structural changes in the subsurface region. At the same time, the modifications of the electronic structure will be detailed, observing the removal of the Ge(001) surface states, the creation of a new, Sn-related surface state and the initial stages of the Schottky barrier formation.
β-Ga₂O₃ a transparent semi-conducting oxide that has sparked a lot of interest over the last decade, because it offers an ultra-wide band gap and high break down voltage. However, due to its monoclinic crystal structure, device fabrication is rather challenging and researchers are already looking into alternative materials. One of these candidates is ϵ-Ga₂O₃ and this work presents a combined study by photoelectron spectroscopy and ab initio calculations of its electronic structure. (Hard) X-rays reveal the impact of photoelectron recoil and the absence of a band bending to the surface, while the dispersion of experimentally determined valence states compares favorably with the calculations based on hybrid density-functional theory.
Another alternative to β-Ga₂O₃ be ZnGa₂O₄ and I will present an investigation on the electronic structure of its (100) surface. Due to the novelty of ZnGa₂O₄ single-crystals, I am first going to explore the preparation of a clean and well-ordered surface by standard in-situ sputtering and annealing. I will show that already low annealing temperatures induce Zn-deficiency, leading to non-stoichiometric surfaces, further exacerbated by sputtering. By changing the sputtering parameters and the annealing conditions, the preparation of a surface with sufficient quality for subsequent investigations will be demonstrated. The results by photoemission techniques compare favorably with the expectations from theory and allowing the first fundamental insights into the surface electronic structure.
This thesis focuses on the investigation and characterization of the surfaces and interfaces of chalcopyrite-based Cu(In,Ga)Se2 (CIGSe) thin film solar cells using various x-ray and electron spectroscopies. In particular, the impact of alkali post deposition treatments (PDT) on the chemical and electronic surface and interface structure of CdS/CIGSe absorbers is studied.
The structure of “real world” CdS/CIGSe interfaces and how they are impacted by different alkali PDTs was investigated by a combination of different x-ray spectroscopies. The interface formation is characterized by studying sample sets with different CdS thicknesses. The chemical environment for indium and cadmium is revealed by deriving the modified Auger parameter α'(In) and α'(Cd) using the kinetic energy of most prominent Auger line together with the binding energy of the chosen core level. A more complex situation is found for CdS/CIGSe samples that underwent NaF+KF PDT, where a K-In-Se compound is initially present on top of the chalcopyrite absorber. The conversion of the K-In-Se type species into a Cd-In-(O,OH,S,Se) interface compound is recorded at short CBD-CdS deposition times. It appears the majority of K that is present at the surface of the NaF+KF PDT CIGSe absorber is dissolved in the CBD and partially re-deposited as K-O type species. The Cd/S ratio clearly deviates from the stoichiometry expected for CdS, and a Cd(O,OH,S)-like compound is likely formed. The electronic structure of CdS/CIGSe interface is similarly more complex for the NaF+KF PDT compared to the NaF PDT case, where only Cd(O,OH,S) buffer was formed.
In an attempt to shed more light into this complex situation, the impact of evaporated alkali metals (K, Rb, Cs) on the surface structure of CIGSe was studied in-system by synchrotron-based hard x- ray photoelectron spectroscopy (HAXPES), aiming at understanding the underlying mechanism of the interfacial effect of alkalis on the performance of CIGSe devices. In the case of K deposition, two K species are observed by x-ray absorption near-edge structure (XANES) and HAXPES, one of which species disappears at high annealing temperature. Furthermore, three new In contributions (In-O and K-In-Se, metallic In species) can be observed after K evaporation. The evolution of chemical contribution supports the formation of a K-In-Se and Cu-poor CIGSe (1:3:5) bilayer structure that is similar to what was reported for “real world” NaF+KF PDTs. Deposition of heavy alkali metals (Rb, Cs) induced the formation of alkali selenide phases after alkali evaporation and during low temperature annealing. Similar chemical changes as seen for the K composition (i.e. presence of metallic In, In-O, and alkali-O) are observed. However, detailed analysis of the Alk/Se ratio and composition provide direct evidence for the formation of a Alk-(In)-Se and (Cu,Alk)(In, Ga)Se2 bilayer.
The insights from these studies promise to provide crucial aid to fully exploit alkali pre-treatments in scientific and industrial CIGSe production, and will deliberate use of this means of surface/interface tailoring to push efficiencies even further.