@phdthesis{Grauer2018, author = {Grauer, Stefan}, title = {Transport Phenomena in Bi\(_2\)Se\(_3\) and Related Compounds}, publisher = {Verlag Dr. Hut GmbH}, isbn = {978-3-8439-3481-7}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-157666}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2018}, abstract = {One of the most significant technological advances in history was driven by the utilization of a new material class: semiconductors. Its most important application being the transistor, which is indispensable in our everyday life. The technological advance in the semiconductor industry, however, is about to slow down. Making transistors ever smaller to increase the performance and trying to reduce and deal with the dissipative heat will soon reach the limits dictated by quantum mechanics with Moore himself, predicting the death of his famous law in the next decade. A possible successor for semiconductor transistors is the recently discovered material class of topological insulators. A material which in its bulk is insulating but has topological protected metallic surface states or edge states at its boundary. Their electrical transport characteristics include forbidden backscattering and spin-momentum-locking with the spin of the electron being perpendicular to its momentum. Topological insulators therefore offer an opportunity for high performance devices with low dissipation, and applications in spintronic where data is stored and processed at the same point. The topological insulator Bi\(_2\)Se\(_3\) and related compounds offer relatively high energy band gaps and a rather simple band structure with a single dirac cone at the gamma point of the Brillouin zone. These characteritics make them ideal candidates to study the topological surface state in electrical transport experiments and explore its physics.}, subject = {Topologischer Isolator}, language = {en} } @phdthesis{Stehr2015, author = {Stehr, Vera}, title = {Prediction of charge and energy transport in organic crystals with quantum chemical protocols employing the hopping model}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-114940}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2015}, abstract = {As organic semiconductors gain more importance for application, research into their properties has become necessary. This work investigated the exciton and charge transport properties of organic semiconducting crystals. Based on a hopping approach, protocols have been developed for the calculation of Charge mobilities and singlet exciton diffusion coefficients. The protocols do not require any input from experimental data except for the x-ray crystal structure, since all needed quantities can be taken from high-level quantum chemical calculations. Hence, they allow to predict the transport properties of yet unknown compounds for given packings, which is important for a rational design of new materials. Different thermally activated hopping models based on time-dependent perturbation theory were studied for the charge and exciton transport; i. e. the spectral overlap approach, the Marcus theory, and the Levich-Jortner theory. Their derivations were presented coherently in order to emphasize the different levels of approximations and their respective prerequisites. A short reference was made to the empirical Miller-Abrahams hopping rate. Rate equation approaches to calculate the stationary charge carrier mobilities and exciton diffusion coefficients have been developed, which are based on the master equation. The rate equation approach is faster and more efficient than the frequently used Monte Carlo method and, therefore, provides the possibility to study the anisotropy of the transport parameters and their three-dimensional representation in the crystal. The Marcus theory, originally derived for outer sphere electron transfer in solvents, had already been well established for charge transport in organic solids. It was shown that this theory fits even better for excitons than for charges compared with the experiment. The Levich-Jortner theory strongly overestimates the charge carrier mobilities and the results deviate even stronger from the experiment than those obtained with the Marcus theory. The latter contains larger approximations by treating all vibrational modes classically. The spectral overlap approach in combination with the developed rate equations leads to even quantitatively very good results for exciton diffusion lengths compared to experiment. This approach and the appendant rate equations have also been adapted to charge transport. The Einstein relation, which relates the diffusion coefficient with the mobility, is important for the rate equations, which have been developed here for transport in organic crystals. It has been argued that this relation does not hold in disordered organic materials. This was analyzed within the Framework of the Gaussian disorder model and the Miller-Abrahams hopping rate.}, subject = {Exziton}, language = {en} } @phdthesis{Fijalkowski2022, author = {Fijalkowski, Kajetan Maciej}, title = {Electronic Transport in a Magnetic Topological Insulator (V,Bi,Sb)\(_2\)Te\(_3\)}, doi = {10.25972/OPUS-28230}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-282303}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2022}, abstract = {This thesis focuses on investigating magneto-transport properties of a ferromagnetic topological insulator (V,Bi,Sb)2Te3. This material is most famously known for exhibiting the quantum anomalous Hall effect, a novel quantum state of matter that has opened up possibilities for potential applications in quantum metrology as a quantum standard of resistance, as well as for academic investigations into unusual magnetic properties and axion electrodynamics. All of those aspects are investigated in the thesis.}, subject = {Topologischer Isolator}, language = {en} }