The purpose of the present thesis is to study the influence of Proton Exchange on Electric Field assisted Poling of congruent Lithium Niobate and its applications on periodically pat-terned structures. Moreover, the possibility of using Proton Exchange to avoid neighbours domains merging is studied and successfully demonstrated for period shorter than 10μm. Before approaching the poling of periodically patterned LiNbO3 samples, the main charac-teristics of the evolution of the poling of uniform samples in different masking conditions are investigated. It is well known that the kinetics of domains switching is highly dependent on the poling setup and on the quality/type of electrode employed to contact the crystal to the high voltage. We used a thin layer of Titanium both as mask for proton diffusion and as metal electrode for poling experiments. Moreover different masking configurations are pre-sented and characterized. The second part of this work deals with the periodic poling of 0.5mm-thick congruent lith-ium niobate. 9x4 mm2 1-D Ti gratings with 8.66μm and 8.03μm period were first fabricated on the +z side of the crystal and a superficial chemical pattern was reproduced via acid bath. Three different types of samples were obtained and before the poling the metallic mask was removed whereas in one configuration it was left assuring better homogeneity of the in-verted areas. The results we obtained suggest it could be possible to achieve periodically poled congruent lithium niobate gratings with period shorter than 4μm in ~500μm thick samples and hence obtain aspect ratios of more than 250.

In this work an image processing software was developed to extract single nanocrystals luminescence spectra from spectral images containing various noises and parasitic signals. This software helps users to process and analyze experimental data in a simplified and intuitive way and allows quick analysis of large volumes of data. The output results are the distributions of peak emission energy and inter-peak spacing. The software also generates text-files containing the extracted information for further analysis. Also experimental photoluminescence measurements have been performed at liquid nitrogen temperature of 77K, on phosphorous doped silicon nanocrystals. The data were analyzed with the developed software and with other data confirm previous results indicating the accuracy of the methodology used in the code. The implementation of this software for data analysis can process information without human bias and hopefully find hidden patterns that previously been lost when analyzing data manually.

The objective of this thesis is to evaluate a generic process for fabrication and characterization of the Superconductive coplanar waveguide (CPW) resonators. Superconductive CPW resonators with various lengths and shapes are designed to investigate their electrical and magnetic properties as well as resonance properties and sensitivities. In the first part of thesis, two different models are introduced in order to estimate the nonlinear kinetic inductance of a superconducting CPW resonator. The first model is based on Bean critical-state model and the second one is based on current dependence of London penetration depth. The existence of a shift in resonant frequency  of Superconductive CPW resonator caused by a non-linear kinetic inductance is also shown experimentally. Simulations were carried out to estimate the nonlinear kinetic inductance due to the self- induced magnetic field penetration. The rest of the thesis is concerned with development of very smooth Aluminum (Al) thin films with RMS (Root Mean Square) roughness 1~nm and CAD (Computer Aid Design) of superconductive CPW resonators. Experimental investigation of a generic fabrication technique for superconductive CPW resonator is carried out. Many resonators are fabricated with different design parameters, such as centerline or gap width, film thickness and gap capacitors length. The fabrication process is described in detail. Electron Beam Lithography is used to fabricate Nb and Al CPW resonators which are coupled to outer conductors via gap capacitors. We have fabricated GHz frequency CPW resonators with quality factors, Q up 5X10^5.

This thesis explores the practical usefulness of surface enhanced Raman spectroscopy on a colloidal substrate for quantification of organic analytes in a water matrix. The method evaluated is very simple and accessible as it utilizes a commercially available hand held Raman spectrometer and citrate reduced silver colloid substrate. Spectra of 4-mercaptopyridine (Mpy) and riboflavin (Rf) samples in distilled water were recorded. A Raman enhancement factor on the order of 108 was achieved for Mpy and its limit of detection was 0.1 nM. The standard deviation of Mpy intensity was <10% for 25 nM samples recorded at the same point in time, but significantly higher for samples recorded at different times. Mpy and Rf could be detected in parallel and both analytes had a close to linear Raman intensity to concentration relationship over a 100 times relative concentration change. We conclude that with improved substrate stability, a similar method should be practically applicable for quantification of suitable analytes down to the nM-range in samples of well defined composition. Considering the method's simplicity and the limited optimization efforts it has a large room for improvement.

The work in this licentiate is devoted to investigating the epitaxial growth of thin Fe layers on MgAl2O4 (001) and MgO (001) substrates using dc magnetron sputtering. The aim is to qualitatively and quantitatively determine the crystal quality of the grown Fe layers depending on their thickness, substrate material, and selected deposition parameters. The effect of the crystal quality on the magnetic and electronic transport properties is discussed. The structural characterization of the epitaxial Fe thin films is carried out by x-ray reflectometry and diffraction as well as transmission electron microscopy. X-ray scattering measurements and analysis with related models allow for a quantitative determination of layering, crystal quality, and strain profiles in the growing Fe. Magnetic properties are determined using a combination of longitudinal magneto-optical Kerr effect measurements, Kerr microscopy, and scanning electron microscopy with polarization analyser. Electronic transport properties are characterized by four-point probe measurements of the thin films. The epitaxial growth of Fe is found to be highly substrate dependent: Fe layers grown on MgAl2O4 have a significantly higher crystal quality, as compared to Fe grown on MgO. The difference in crystal quality is attributed to different strain states in Fe, which is supported by theoretical calculations of the critical thickness on both substrates. Moreover, an anomalous elastic response in Fe at the thin film limit is found. The magnetic properties of Fe are weakly reflecting the differences in crystal quality of the Fe layers. However, the difference in crystal quality affects the electronic transport properties. The results of this study on epitaxial Fe layers can provide insights into strain and defect engineering in Fe thin films, which can additionally serve as model systems for finite size effects.

In this thesis, low temperature specific heat measurements on small (μg) single crystals of different superconducting and magnetic systems are presented. The device used in this work features a combination of high sensitivity and good accuracy over the temperature range 1-400 K and allows measurements in high magnetic fields. It consists of a stack of thin films deposited in the center of a Si3N4 membrane. A batch process for the production of up to 48 calorimeters from a 2" silicon wafer was developed in order to overcome the scarcity of devices and allow systematic investigations. With abundance of calorimeters, single crystals of three different systems were studied. Fe2P is the parent compound of a broad family of magnetocaloric materials. The first-order para- to ferromagnetic phase transition at TC = 216 K was investigated for fields H up to 2 T, applied parallel and perpendicular to the easy axis of magnetization c. Strikingly different phase contours were obtained depending on the field direction. In particular, for H perpendicular to c, two different ferromagnetic phases, with magnetization parallel and perpendicular to c are found. It was also possible to observe the superheating/supercooling states, the latent heat, and the structural change associated to the first-order transition. BaFe2(As1-xPx)2 is a member of the recently discovered iron-based high-temperature superconductors family. Crystals with three different compositions were measured to study the doping dependence of the superconducting properties in the overdoped regime (x > 0.30). The electronic specific heat at low temperatures was analyzed with a two band α model, which allows to extract the gap amplitudes and their weights. The degree of gap anisotropy was investigated from in-field measurements. Additional information on the system was obtained by a combined analysis of the condensation energy and upper critical field. URu2Si2, a heavy fermion material, was studied around and above the hidden-order temperature THO = 17.5 K. The origin of the hidden-order phase is still not understood. High-resolution specific heat data were collected to help clarify if any pseudogap state is seen to exist above THO. We found no evidence for any bulk phase transition above THO.

The world’s ever-growing energy demand has evoked great interest in exploring renewable energy sources along with sustainable energy storage systems. While inorganic physics of rocking chair mechanism used in Li-ion battery have proven to provide high energy density and high performance, there are problems yet to be overcome in terms of sustainability and recyclability. This is why research in organic batteries has been on the rise, yet the diversity of organic battery frameworks remains limited and requires overcoming multiple obstacles that restrain the performance of an all-organic battery system. A recent advance in the design of organic electrode material by Wang et al. has shown the possibility of a new stable and tunable class of conjugated sulfonamides (CSA) with an experimental voltage range between 2.85V and 3.45V [5]. A theoretical approach to study these organic materials is taken in this thesis research where the effects of such compounds on the redox potential, physics of ion insertion, and other thermodynamical properties are examined. Density Functional Theory (DFT) is employed in this investigation along with an evolutionary algorithm to generate information about the crystal structure of mentioned systems, their density of states (DOS), and charge distribution in pristine form and after lithiation. Quinone systems with oxygen groups were investigated in a previous research project that complements this thesis which looks into a quinone system with sulfonamide compounds where a comparison between the two could offer more understanding of the electrochemistry of such systems for their application in batteries as high performing organic cathode materials on a par with other inorganic materials.

Silicon carbide rectifiers are commercially available since 2001, and MESFET switches are expected to enter the market within a year. Moreover, three inch SiC wafers can be purchased nowadays without critical defects for the device performance and four inch substrate wafers are announced for the year 2005. Despite this tremendous development in SiC technology, the reliability issues like device degradation or high channel mobility still remain to be solved. This thesis focuses on SiC surface passivation and termination, a topic which is very important for the utilisation of the full potential of this semiconductor. Three dielectrics with high dielectric constants, Al2O3, AlN and TiO2, were deposited on SiC with different techniques. The structural and electrical properties of the dielectrics were measured and the best insulating layers were then deposited on fully processed and well characterised 1.2 kV 4H SiC PiN diodes. For the best Al2O3 layers, the leakage current was reduced to half its value and the breakdown voltage was extended by 0.5 kV, reaching 1.6 kV, compared to non passivated devices. As important as the proper choice of dielectric material is a proper surface preparation prior to deposition of the insulator. In the thesis two surface treatments were tested, a standard HF termination used in silicon technology and an exposure to UV light from a mercury lamp. The second technique is highly interesting since a substantial improvement was observed when UV light was used prior to the dielectric deposition. Moreover, UV light stabilized the surface and reduced the leakage current by a factor of 100 for SiC devices after 10 Mrad γ ray exposition. The experiments indicate also that the measured leakage currents of the order of pA are dominated by surface leakage. / QC 20110114

The spin-glass is a peculiar magnetic phase, exhibiting non-trivial dynamics at low temperatures, characterized by an continuously evolving state without long-range order. The behavior requires some degree of disorder to occur, often in the way of impurities or random exchange energy between the spins. However, recent research have found structurally ordered systems exhibiting glassy behaviour. This project aims to further investigate these self-induced spin-glasses. The report provides a short introduction to atomistic spin-dynamics and applies the theory to study self-induced spin-glasses in hexagonal systems with the help of simulations. A variation approach was applied by running simulation using a range of spin-exchange couplings in the Heisenberg Hamiltonian. These systems were then studied by the means of their autocorrelation function and compared to known glassy systems from the Edwards-Andersson model. The resulting behaviour is presented for three different hexagonal structures and glassy behaviour is indicated in stacked hexagonal systems. It is however argued that the autocorrelation function is not sufficient to classify these systems, instead further observables are needed. Nevertheless, the method of studying self-induced spin-glasses by varying couplings in the Heisenberg Hamiltonian is promising. As even with the few spin interactions used in this report we observe the slow relaxation time associated with spin-glasses. Given some extra considerations when choosing the exchange used for the simulation, a self-induced glassy state should be able to be recreated using the method described in this report. / Spinn-glas är en speciell magnetisk fas som uppvisar icke trivial dynamik vid låga temperaturer, en kontinuerlig utveckling samt en avsaknad av ordning på stora skalor. Detta beteende kräver en viss gradav oordning för att uppstå, ofta i form av föroreningar i materialet eller slumpmässiga interaktioner mellan olika spinn. Forskning har dock visat att även strukturellt ordnade system kan uppvisa spinn-glas beteende. Därmed är målet med detta projekt att fortsätta undersöka dessa själv-inducerade spinn-glas. Rapporten ger en kort introduktion till atomistisk spinn-dynamik och applicerar denna teori för att studera själv-inducerade spin-glas i hexagonala system. I projektet simulerades system med varierande spin-interaktioner i Heisenberg Hamiltonianen. Dynamiken undersöktes med hjälp av en korrelationsfunktion som jämfördes mot kända spinn-glas från Edwards-Andersson modellen. Resultat presenteras för tre hexagonala strukturer och spinn-glas-liknande beteende observeras i de tre-dimensionella systemen. Det kan dock argumenteras att korrelationsfunktionen inte är tillräcklig för att klassificera dessa system och att mer kvantitativa mått krävs. Trots detta anses metoden, att variera spinn-interaktioner i Heisenberg Hamiltonianen, vara lovande. Detta eftersom den långa avslappningstiden associerad med spinn-glas påträffades, trots de få interaktioner som användes i denna rapport. Ett själv-inducerat spin-glass borde därmed kunna skapas med de metoder som presenteras i rapporten, givet en mer systematisk metod vid val av interaktionsparametrar för simuleringen.

Disordered multicomponent nitride thin film can be used for various applications. The focus of this Licentiate Thesis lies on the theoretical study of piezoelectric properties, phase stability and surface diffusion in multifunctional hard coating nitrides using density functional theory (DFT). Piezoelectric thin films show great promise for microelectromechanical systems (MEMS), such as surface acoustic wave resonators or energy harvesters. One of the main benefits of nitride based piezoelectric devices is the much higher thermal stability compared to the commonly used lead zirconate titanate (PZT) based materials. This makes the nitride based material more suitable for application in, e.g., jet engines. The discovery that alloying AlN with ScN can increase the piezoelectric response more than 500% due to a phase competition between the wurtzite phase in AlN and the hexagonal phase in ScN, provides a fundamental basis for constructing highly responsive piezoelectric thin films. This approach was utilized on the neighboring nitride binaries, where ScN or YN was alloyed with AlN, GaN, or InN. It established the general role of volume matching the binaries to easily achieve a structural instability in order to obtain a maximum increase of the piezoelectric response. For Sc0.5Ga0.5N this increase is more than 900%, compared to GaN. Y1-xInxN is, however, the most promising alloy with the highest resulting piezoelectric response seconded only by Sc0.5Al0.5N. Phase stability and lattice parameters (stress-strain states) of the Y1-xAlxN alloy have been calculated in combination with experimental synthesis. Hard protective coatings based on nitride thin films have been used in industrial applications for a long time. Two of the most successful coatings are TiN and the metastable Ti1-xAlxN. Although these two materials have been extensively investigated both experimentally and theoretically, at the atomic level little is known about Ti1-xAlxN diffusion properties. This is in large part due to problems with configurational disorder in the alloy, because Ti and Al atoms are placed randomly at cation positions in the lattice, considerably increasing the complexity of the problem. To deal with this issues, we have used special quasi-random structure (SQS) models, as well as studying dilute concentrations of Al. One of the most important mechanisms related to the growth of Ti1-xAlxN is surface diffusion. Because Ti1-xAlxN is a metastable material it has to be grown as a thin film with methods such as physical vapor deposition (PVD), in which surface diffusion plays a pivotal role in determining the microstructure evolution of the film. In this work, the surface energetics and mobility of Ti and Al adatoms on a disordered Ti0.5Al0.5N(001) surface are studied. Also the effects on the adatom energetics of Ti, Al, and N by the substitution of one Ti with an Al surface atom in TiN(001), TiN(011), and TiN(111) surfaces is studied. This provides an indepth atomistic understanding of how the energetics behind surface diffusion changes as TiN transitions into Ti0.5Al0.5N. The investigations revealed many interesting results. i) That Ti adatom mobilities are dramatically reduced on the TiN and Ti0.5Al0.5N(001) surfaces while Al adatoms are largely unaffected. ii) The reverse effect is found on the TiN(111) surface, Al adatom migration is reduced while Ti adatom migration is unaffected. iii) The magnetic spin polarization of Ti adatoms is shown to have an important effect on binding energies and diffusion path, e.g., the adsorption energy at bulk sites is increased by 0.14 eV.