For the past decades, Kelvin probe force microscopy (KPFM) developed from a sidebranch of atomic force microscopy to a widely used standard technique. It allows to measure electrostatic potentials on any type of sample material with an unprecedented spatial resolution. While the technical aspects of the method are well understood, the interpretation of measured data remains object of intense research. This thesis intends to prove an advanced view on how sample systems which are typical for ultrahigh resolution imaging, such as organic molecular submonolayers on metals, can be quantitavily analysed with the differential charge density model. In the first part a brief introduction into the Kelvin probe experiment and atomic force microscopy is given. A short review of the theoretical background of the technique is presented. Following, the differential charge density model is introduced, which is used to further explain the origin of contrast in Kelvin probe force microscopy. Physical effects, which cause the occurence of local differential charge densities, are reviewed for several sample systems that are of interest in high resolution atomic force microscopy. Experimental evidence for these effects is presented in the second part. Atomic force microscopy was used for in situ studies of a variety of sample systems ranging from pristine metal surfaces over monolayer organic adsorbates on metals to ferroelectric substrates both, with and without organic thin film coverage. As the result from these studies, it is shown that the differential charge density model accurately describes the experimentally observed potential contrasts. This implies an inherent disparity of the measurement results between the different Kelvin probe force microscopy techniques; a point which had been overseen so far in the discussion of experimental data. Especially for the case of laterally strong confined differential charge densities, the results show the opportunity as well as the necessity to explain experimental data with a combination of ab initio calculations of the differential charge density and an electrostatic model of the tip-sample interaction.

Der Einfluss der Modifikation der technologisch relevanten GaAs(100) Oberfläche durch Chalkogene, i.e. Selen, Schwefel und Tellur, wird in dieser Arbeit untersucht. Es wird ein Modell vorgestellt, das die Eigenschaften der modifizierten Oberfläche beschreibt. In einem zweiten Schritt werden die so modifizierten Oberflächen mit Metallen unterschiedlicher Reaktivität und verschiedenen Elektronegativitäten bedampft. Die Bandbreite dieser Eigenschaften wird durch die Metalle Indium und Silber, das Alkalimetall Natrium, das Erdalkalimetall Magnesium und das Halbmetall Antimon abgebildet. Die Untersuchung des Einflusses der Chalkogene auf die chemischen Eigenschaften und die Barrierenhöhe der Metall/GaAs(100) Grenzfläche bilden einen weiteren Schwerpunkt. Die Änderung der Barrierenhöhe wird dabei mit Hilfe des Modells metallinduzierter Bandlückenzustände (metal induced gap states) erklärt. Als experimentelle Techniken werden Photoemissionsspektroskopie, Raman Spektroskopie und Strom-Spannungsmessungen verwendet. / The influence of a modification of the technological relevant GaAs(100) surface by chalcogens, i.e. selenium, sulphur and tellurium, is evaluated in this work. A model is proposed, which describes the properties of the modified surface. In a second step metals of different reactivity and electronegativity have been evaporated onto these modified surfaces. Among these materials were the metals indium and silver, the alkali metal sodium, the earth alkali metal magnesium and the half metal antimony. The investigation of the influence of chalcogens on the chemical properties and the barrier height of the metal/GaAs(100) interface is another point of interest. The change in barrier height is explained by the model of metal induced gap states (MIGS). Photoemission spectroscopy, Raman spectroscopy and current-voltage-measurement have been used as experimental techniques.

For the past decades, Kelvin probe force microscopy (KPFM) developed from a sidebranch of atomic force microscopy to a widely used standard technique. It allows to measure electrostatic potentials on any type of sample material with an unprecedented spatial resolution. While the technical aspects of the method are well understood, the interpretation of measured data remains object of intense research. This thesis intends to prove an advanced view on how sample systems which are typical for ultrahigh resolution imaging, such as organic molecular submonolayers on metals, can be quantitavily analysed with the differential charge density model. In the first part a brief introduction into the Kelvin probe experiment and atomic force microscopy is given. A short review of the theoretical background of the technique is presented. Following, the differential charge density model is introduced, which is used to further explain the origin of contrast in Kelvin probe force microscopy. Physical effects, which cause the occurence of local differential charge densities, are reviewed for several sample systems that are of interest in high resolution atomic force microscopy. Experimental evidence for these effects is presented in the second part. Atomic force microscopy was used for in situ studies of a variety of sample systems ranging from pristine metal surfaces over monolayer organic adsorbates on metals to ferroelectric substrates both, with and without organic thin film coverage. As the result from these studies, it is shown that the differential charge density model accurately describes the experimentally observed potential contrasts. This implies an inherent disparity of the measurement results between the different Kelvin probe force microscopy techniques; a point which had been overseen so far in the discussion of experimental data. Especially for the case of laterally strong confined differential charge densities, the results show the opportunity as well as the necessity to explain experimental data with a combination of ab initio calculations of the differential charge density and an electrostatic model of the tip-sample interaction.

Since many years, the importance of thin layers increases for lots of technical uses. Beginning in the field of microelectronics, the use of thin layers spread increasingly to other areas. Coatings for surface refining and optimisation of the mechanical properties for material engineering, customisation of the surface chemistry in catalysts, as well influencing of the transmission and reflection characteristics of surfaces in optics are only some examples of the high scientific and economic weight of the thin layer technology. Thin magnetic layers are the basis of many known storage media ranging from the tape recorder to the hard disk up to the credit card. Nowadays, these thin layers again gain interest in the research field of nanoelectronics as ultrathin layers. So-called spinvalve-read/write heads being already installed in actual hard disks use the Tunnel Magneto Resistance effect for a significant rise in memory density synonymous capacity. Such read/writeheads consist of a magnetic layersystem. This use of the magnetic as well as the electric characteristics of the electrons is called spintronics. The iron oxide magnetite exhibits a high iron portion, is strong antiferrimagnetic and has a high Curie-temperature. Since many years, it is used as a magnetic pigment on already mentioned magnetic tapes. Literature [1, 2, 3, 4] considers ultrathin epitaxial layers of magnetite on magnesium oxide for uses in the spintronics as a most promising candidate, because it inheres a complete spin polarisation at Fermi-level. Moreover, thin magnetite layers serve in the chemical industry as a catalyst in the Haber- Bosch-procedure and to the dehydration of ethylbenzene to styrene. Being already used and considered to be of ongoing interest, ultrathin magnetite layers offer a wide range of technological applications in many modern industrial and scientific fields. Because there is, nevertheless, a variety of other iron oxide (cf. chapter 4), it is a matter to determine the special growth conditions of magnetite. These ultrathin iron oxide layers were grown reactively on the (001)-surfaces of the magnesium oxide substrate by molecular beam epitaxy. Besides, the surface is examined by the diffraction of low-energy electrons concerning its crystalline structure. X-ray photo electron spectroscopy approaching the stochiometry completes these first characterisations. Other investigations are carried out at HASYLAB / DESY in Hamburg by X-ray reflectivity and X-ray diffraction. The exact thickness of the layers, its crystal properties in bulk, as well as the thickness of the crystalline portion of the layers can be determined among other features of the system. The evaluation of XRR-and XRD-investigations is done via simulations with in chapter 5 introduced software packages. The reader finds the theoretical backgrounds to the used techniques in chapter 3. The experimental setups in Osnabr¨uck and Hamburg as well as the backgrounds to the preparation are presented in chapter 5. Because the formation of the different iron oxides is described in literature [5, 6, 7, 8] as mostly depending on annealing temperatures, the experimental results in chapter 6 are graded accordingly. The dependence on temperature, layer thickness and annealing time should be examined for the iron oxides possible on this substrate. The aim of this work is the preparation of ultrathin epitaxial iron oxide layers with thicknesses up to few nanometers. The main goal is to find the growth parameters for ultrathin crystalline magnetite layers.

In dieser Arbeit wurde die atomare Struktur von Si(100)- und Ge(100)-Oberflächen untersucht, die mit metallorganischer chemischer Gasphasenabscheidung (MOCVD) für anschließende Heteroepitaxie von III-V-Halbleitern präpariert wurden. An der III-V/IV Grenzfläche werden atomare Doppelstufen auf der Substratoberfläche benötigt, um Antiphasenunordnung in den III-V-Schichten zu vermeiden. Die MOCVD-Prozessgasumgebung beeinflusst die Domänen- und Stufenbildung der Si- und Ge(100)-Oberfläche sehr stark. Deswegen wurden in situ Reflexions-Anisotropie-Spektroskopie (RAS) und Ultrahochvakuum-(UHV)-basierte oberflächensensitive Messmethoden verwendet, um die verschiedenen Oberflächen zu charakterisieren. In situ RAS ermöglicht die Identifizierung der Oberflächenstruktur und somit Kontrolle über die Oberflächenpräparation, insbesondere der Domänenbildung auf Si- und Ge(100). Beide Oberflächen wechselwirken stark mit dem H2-Prozessgas, was zu Monohydrid-Bedeckung während der Präparation führt und sogar zu Si-Abtrag während Präparation unter hohem H2-Druck. Die Erzeugung von Leerstellen auf den Terrassen bewirkt eine kinetisch bedingte Oberflächenstruktur, basierend auf Diffusion von Leerstellen und Atomen. Dadurch kommt es zu ungewöhnlichen DA-Doppelstufen auf verkippten Si(100)-Substraten während auf exakten Substraten ein schichtweiser Abtrag stattfindet. Unter niedrigem H2-Druck bildet sich eine energetisch bedingte Domänen- und Stufenstruktur. Während das H2-Prozessgas keinen direkten Einfluss auf die Stufen- und Domänenbildung von verkippten Ge(100)-Oberflächen zeigt, ist der Einfluss von Gruppe-V-Elemente entscheidend. Die As-terminierten Ge(100)-Oberflächen bilden eindomänige Oberflächen unterschiedlicher Dimerorientierung und Stufenstruktur abhängig von Temperatur und As-Quelle. Angebot von P an Ge(100)-Oberflächen durch Heizen in Tertiärbutylphosphin führt zu einer ungeordneten, P-terminierten Ge(100)-Oberfläche, die instabiler als die Ge(100):As-Oberfläche ist. / In this work, the atomic surface structure of Si(100) and Ge(100) surfaces prepared in metalorganic chemical vapor phase deposition (MOCVD) ambient was studied with regard to subsequent heteroepitaxy of III-V semiconductors. At the III-V/IV interface, double-layer steps on the substrate surface are required to avoid anti-phase disorder in the epitaxial film. The MOCVD process gas ambient strongly influences the domain and step formation of Si and Ge(100) surfaces. Therefore, in situ reflection anisotropy spectroscopy (RAS) and ultra-high vacuum-based (UHV) surface sensitive methods were applied to investigate the different surfaces. In situ RAS enabled identification of the surface structure and the crucial process steps, leading to complete control of Si and Ge(100) surface preparation. Both surfaces strongly interact with H2 process gas which leads to monohydride termination of the surfaces during preparation and Si removal during processing in high H2 pressure ambient. The generation of vacancies on the terraces induces a kinetically driven surface structure based on diffusion of vacancies and Si atoms leading to an energetically unexpected step structure on vicinal Si(100) substrates with DA-type double-layer steps, whereas Si layer-by-layer removal occurs on substrates with large terraces. Processing in low H2 pressure ambient leads to an energetically driven step and domain structure. In contrast, H2-annealed vicinal Ge(100) surfaces show no direct influence of the H2 ambient on the step structure. At the Ge(100) surface, group-V elements strongly influence step and domain formation. Ge(100):As surfaces form single domain surfaces with different majority domain and significantly different step structures depending on temperature and As source, respectively. In contrast, exposure to P by annealing in tertiarybutylphosphine leads to a very disordered P-terminated vicinal Ge(100) surface which is less stable compared to the Ge(100):As surfaces.