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In this thesis we study the interplay between electronic correlations and geometry in single-walled carbon nanotubes by microscopic model calculations. Electronic correlations are expected to be strong because of the low dimensionality of carbon nanotubes. ...
This thesis is concerned with the theoretical study of the adsorption of molecules and thin films to single-crystal metal surfaces. First-principles electronic calculations are performed in the framework of density functional theory in the local density ap ...
This thesis analyzes the properties of heavily doped nanocrystalline titanium dioxide. Thin films were deposited by magnetron sputtering with either water vapor as reactive gas or a periodically interrupted oxygen supply. The samples were at the same time ...
We have investigated the doping mechanism of pentacene with iodine and its impact on the structure and on the electronic properties of single crystals, powders, and thin films in a large range of iodine concentration up to six iodine per pentacene (PEN) mo ...
By angle-resolved photoemission spectroscopy and polarization-dependent infrared reflectivity measurements the electronic and vibrational properties of the low-dimensional perovskites Sr1-yLayNbO3.5-x were studied along different crystal directions. The el ...
We present a spin delocalization effect in radical Si-containing systems, featuring a heteroatom of high electronegativity (such as N, O, or Cl) bonded to the unsaturated Si atom. We find that the higher the electronegativity of the heteroatom, the more th ...
We study the interfacial electronic properties of a model Si-SiO2-Si structure which is intended to simulate the substrate-oxide-polysilicon stack in metal-oxide-semiconductor devices. The structural properties of this model are shown to match closely thos ...
A detailed investigation of the electrical resistivity of a series of monovalent (Ag) doped polycrystalline La1−xAgxMnO3 pellets with x ranging from 0.05 to 0.30 and measured over the temperature range between 10 and 350 K is reported. La1−xAgxMnO3 compoun ...
We discuss the spectral signatures of strong electronic correlations and electron-phonon interactions in two representative low-dimensional systems. In the 2D compound 1T-TaSe2 a charge-density-wave (CDW) induces a narrowing of the conduction band, which t ...
The ionic liquid 1-dodecyl-3-methylimidazole chloride ([C12- mim]Cl) is doped with 1 mol-% of the lanthanide ternary complexes [Ln(tta)3(phen)] (tta = thenoyltrifluoroacetonate, phen = 1,10-phenanthroline, Ln = Nd, Eu, Er, Yb), resulting in luminescent mes ...