Within the field of radiotherapy treatments of tumour diseases, the hunt for more accurate and effective treatment methods is a continuous process. For some years ion-beam based radiotherapy, especially the proton-beam based applications, has increased in popularity and availability. The main reason behind this is the fact that ion-beam based applications make it possible to modulate the dose after the planning target volume (PTV) defined by the radiation oncologist. This means that it becomes possible to spare tissue in another way, which might result in more effective treatments, especially in the vicinity of radio sensitive organs. Ion-beam based treatments are however more sensitive to uncertainties in PTV position and beam range as ion-beams have a fixed range depending on target media and initial energy, as opposed to the conventional x-ray beams that do not really have a defined range. Instead their intensity decreases exponentially at a rate dependent of the initial energy and target media. Therefore density heterogeneities result in uncertainties in the planned treatments. As the plans normally are created using a CT-images, for which metallic implants can yield increased heterogeneities both from the implants themselves and so called metal artifacts (distortions in the images caused by different processes as the X-rays used in image acquisition goes through metals). Metallic implants affects the accuracy of a treatment, and therefore also the related risks, so it is important to have an idea of the magnitude of the impact. Therefore the aim of this study is to estimate the impact on a proton-beam based treatment plan for six cranial implants. These were one Ti-mesh implant, one temporal plate implant, one burr-hole cover implant and three craniofix implants of different sizes, which all are commonly seen at the Skandion clinic. Also the ability of the treatment planning system (TPS), used at the clinic, to simulate the effects on the plans caused by the implants is to be studied. From this result it should be estimated if the margins and practices in place at the clinic, for when it is required to aim the beam through the implant, are sufficient or if they should be changed. This study consisted of one test on the range shift effects and one test on the lateral dose distribution changes, with one preparational test in the form of a calibration of Gafchromic EBT3 films. The range shift test was performed on three of the implants, excluding the three craniofix implants using a water phantom and a treatment plan created to represent a standard treatment in the cranial area. The lateral dose distribution change test was performed as a solid phantom study using radiochromic film, for two treatment plans (one where the PTV was located \SI{2}{\centi\metre} below surface, for all implants, and one where it was located at the surface, only for the Ti-mesh and the temporal plate). The results of both tests were compared to simulations performed in the Eclipse treatment planing system (TPS) available at Skandion. The result of the range shift test showed a maximum range shift of \SI{-1.03 +- 0.01}{\milli\metre}, for the burr-hole cover implant, and as the related Eclipse simulations showed a maximal shift of \SI{-0.17 +- 0.01}{\milli\metre} there was a clear problem with the simulation. However, this might not be because of the TPS but due to errors in the CT-image reconstruction, such as, for example, geometrical errors in the representation of the implants. As the margin applied for a similar situation at the Skandion clinic (in order to correct for several uncertainty factors) is \SI{4.2}{\milli\metre} there might be a need to increase this margin depending on the situation. For the lateral distribution effects no definite results were found as the change varied in magnitude, even if it tended to manifest as a decreasing dose for the first plan and a increasing dose for the second. It was therefore concluded that further studies are needed before anything clear can be said.

Artificial light surrounds us in a manifold of shapes. It is mainly utilized for illumination, but also for graphical communication of complex and evolving messages and information, among other things. It can be generated in different ways with incandescent lamps and fluorescent tubes constituting two common examples. Organic solid state light-generation technologies, which boast advantages such as solution processability, thin and flexible form factors, and large versatility, are modern additions to the field. But regardless of the means of generation, whenever light is to be used to communicate information, as signage or displays, it needs to be patterned. Unfortunately patterning is often complicated and expensive from a fabrication point of view, or renders the devices inefficient. To bridge the gap between present technologies and the need for low-cost and low-complexity patterned light emitters, it is important to develop new device architectures and/or fabrication procedures. In this thesis we show that patterned light emission can be attained from solution processable bilayer light-emitting electrochemical cells (LECs), in which the bilayer stack comprises an electrolyte and an organic semiconductor as the first and second layer, respectively. We investigate a subtractive direct-write approach, in which electrolyte is displaced and patterned by the contact motion of a thin stylus, as well as an additive inkjet-patterning technique. Both result in electroluminescent patterns, e.g., light-emitting sketches and microscopic signage with high pixel density. But they can also build macroscopic patterned regions with homogeneous emission depending on the design of electrolyte features. Using an in-operando optical microscopy study we have investigated the operational physics and some limiting factors of the bilayer LECs. More specifically we find that the electrolyte film homogeneity is a key property for high optical quality, and that the emitting region is defined by the location of the interfaces between electrolyte, anode, and organic semiconductor. We observe that the cationic diffusion length is less than one micrometer in our employed organic semiconductors, and rationalize the localized emission by cationic electric double-layer formation at the cathode, and the electronically insulating electrolyte at the anode. To date, the presented luminescent signage devices feature high-resolution patterns, in both pixelated and line-art form, and show great robustness in terms of fabrication and material compatibility. Being LECs, they have the potential for truly low-cost solution processing, which opens up for new applications and implementations. However, these first reports on patterned bilayer LECs leave plenty of room for improvements of the optical and electronic characteristics. For instance, if the optoelectronic properties of the devices were better understood, a rational design of microscopic electrolyte features could provide for both more efficient LECs, and for more homogeneous light emission from the patterned regions.

Ultrafast dynamical processes in magnetic systems have become the subject of intense research during the last two decades, initiated by the pioneering discovery of femtosecond laser-induced demagnetization in nickel. In this thesis, we develop theory for fast and ultrafast magnetization dynamics. In particular, we build relativistic theory to explain the magnetization dynamics observed at short timescales in pump-probe magneto-optical experiments and compute from first-principles the coherent laser-induced magnetization. In the developed relativistic theory, we start from the fundamental Dirac-Kohn-Sham equation that includes all relativistic effects related to spin and orbital magnetism as well as the magnetic exchange interaction and any external electromagnetic field. As it describes both particle and antiparticle, a separation between them is sought because we focus on low-energy excitations within the particle system. Doing so, we derive the extended Pauli Hamiltonian that captures all relativistic contributions in first order; the most significant one is the full spin-orbit interaction (gauge invariant and Hermitian). Noteworthy, we find that this relativistic framework explains a wide range of dynamical magnetic phenomena. To mention, (i) we show that the phenomenological Landau-Lifshitz-Gilbert equation of spin dynamics can be rigorously obtained from the Dirac-Kohn-Sham equation and we derive an exact expression for the tensorial Gilbert damping. (ii) We derive, from the gauge-invariant part of the spin-orbit interaction, the existence of a relativistic interaction that linearly couples the angular momentum of the electromagnetic field and the electron spin. We show this spin-photon interaction to provide the previously unknown origin of the angular magneto-electric coupling, to explain coherent ultrafast magnetism, and to lead to a new torque, the optical spin-orbit torque. (iii) We derive a definite description of magnetic inertia (spin nutation) in ultrafast magnetization dynamics and show that it is a higher-order spin-orbit effect. (iv) We develop a unified theory of magnetization dynamics that includes spin currents and show that the nonrelativistic spin currents naturally lead to the current-induced spin-transfer torques, whereas the relativistic spin currents lead to spin-orbit torques. (v) Using the relativistic framework together with ab initio magneto-optical calculations we show that relativistic laser-induced spin-flip transitions do not explain the measured large laser-induced demagnetization. Employing the ab initio relativistic framework, we calculate the amount of magnetization that can be imparted in a material by means of circularly polarized light – the so-called inverse Faraday effect. We show the existence of both spin and orbital induced magnetizations, which surprisingly reveal a different behavior. We establish that the laser-induced magnetization is antisymmetric in the light’s helicity for nonmagnets, antiferromagnets and paramagnets; however, it is only asymmetric for ferromagnets.

Coherent diffractive imaging (CDI) has become a very popular technique over the past two decades. CDI is a "lensless" imaging method which replaces the objective lens of a conventional microscope by a computational image reconstruction procedure. Its increase in popularity came together with the development of X-ray free-electron lasers (XFELs) which produce extremely bright and coherent X-rays. By facilitating these unique properties, CDI enables structure determination of non-crystalline samples at nanometre resolution and has many applications in structural biology, material science and X-ray optics among others. This work focuses on two specific CDI techniques, flash X-ray diffractive imaging (FXI) on biological samples and X-ray ptychography. While the first FXI demonstrations using soft X-rays have been quite promising, they also revealed remaining technical challenges. FXI becomes even more demanding when approaching shorter wavelengths to allow subnanometre resolution imaging. We described one of the first FXI experiments using hard X-rays and characterized the most critical components of such an experiment, namely the properties of X-ray focus, sample delivery and detectors. Based on our findings, we discussed experimental and computational strategies for FXI to overcome its current difficulties and reach its full potential. We deposited the data in the Coherent X-ray Database (CXIDB) and made our data analysis code available in a public repository. We developed algorithms targeted towards the needs of FXI experiments and implemented a software package which enables the analysis of diffraction data in real time. X-ray ptychography has developed into a very useful tool for quantitative imaging of complex materials and has found applications in many areas. However, it involves a computational reconstruction step which can be slow. Therefore, we developed a fast GPU-based ptychographic solver and combined it with a framework for real-time data processing which already starts the ptychographic reconstruction process while data is still being collected. This provides immediate feedback to the user and allows high-throughput ptychographic imaging. Finally, we have used ptychographic imaging as a method to study the wavefront of a focused XFEL beam under typical FXI conditions.  We are convinced that this work on developing strategies and algorithms for FXI and ptychography is a valuable contribution to the development of coherent diffractive imaging.

A MBS (Multi-port beamsplitter) for higher dimensional quantum communication has been designed and constructed and the theory and method for this is presented in this thesis. It uses optical fibers in a heterogeneous structure with a single-mode fiber spliced to a multi-mode fiber and then spliced to a few-mode fiber. Three MBS:s were constructed and tested to see if superpositions between spatial modes could be generated. One with 5.65cm multi-mode fiber, one with 9cm of multi-mode fiber and one with just the single-mode fiber spliced to the few-mode fiber. The optical modes that where focused on for the superposition were the linear polarized LP01, LP11a and LP11b modes. Simulations of superpositions between these modes were performed and experiments were done to see if these simulations could be realised. The shapes of these superpositions could be seen with a camera and the stability of the different modal powers and the stability of the phases between the modes where also tested. The last experiment tested the tunability of the modes by finding their maximum and minimum output power for each individual mode. The results of these experiments show that the stability of power and relative phases are high and testing of the tunability shows that the 9cm MBS is the most tunable, the 5.65cm MBS the second best and the SMF-FMF MBS the worst. Even though the shapes of the superpositions, the stability and tunability shows very positive results, the conclusion is that more experiments are required in order to identify the superpositions and for this to be used in a quantum communication system. / En Multi-port stråldelare (MSD) för kvantkommunikation med hjälp av rumsliga optiska moder har blivit designad och konstruerad. Teorin, metoden och resultatet av detta arbete presenteras i denna uppsats. Denna konstruktion använder sig av optiska fiber i heterogena strukturer med en single-mode fiber svetsad till en multi-mode fiber som i sin tur är svetsad till en few-mode fiber. Tre stycken MSD blev konstruerade och testade för att se om superpositioner mellan rumsliga moder kunde bli genererade, en med 5.65cm multi-mode fiber, en med 9cm multi-mode fiber och en med bara en single-mode fiber svetsad till en few-mode fiber. De moder som fokuserades på för superpositionerna var de linjärpolariserade moderna LP01, LP11a och LP11b. Superpositionerna simulerades och sen genomfördes experiment för att se ifall de kunde bli genererade. Formerna av dessa superpositioner kunde hittas och synliggöras med en kamera. Stabiliteten av modernas energi och stabiliteten av faserna mellan moderna testades också. Det sista experimentet som gjordes testade justerbarheten av moderna genom att hitta den minimala samt maximala intensiteten för varje mod. Experimenten visar att intensiteterna och de relativa faserna har hög stabilitet för alla konstruerade MSD, men i justerbarhets experimentet visar det sig att 9cm MSD:en presterar bäst, 5.65cm MSD:en presterar näst bäst och SMF-FMF strukturen presterar sämst. Trots att formerna av superpositionerna kunde hittas för alla tre konstruktioner, och att testen i stabiliteten visar goda resultat så krävs mer experiment för att identifiera superpositionerna mellan moderna och ifall denna konstruktion går att implementera i ett kvantkommunikationssystem.

Non-fullerene Acceptors (NFAs) have gathered a great deal of interest for use inorganic photovoltaics (OPVs) due to recent breakthroughs in their power conversion efficiency and other advantages they offer over their Fullerene-based counterparts. In this work, a new promising non-fullerene polymer acceptor, PF5-Y5, have been studied using density functional theory and time-dependent density functional theory; and the effects that oligomer length, geometry relaxation and exchange-correlation interaction has on the exciton binding energies (the difference between optical and fundamental energy gaps) have been investigated. Both the fundamental and optical gaps are significantly affected by the choice of functional (i.e., the description of the exchange-correlation interaction). However, it does not appear to significantly impact obtained exciton binding energies as the effects of the fundamental and optical gaps cancel each other out. Both the fundamental and optical energy gap are shown to slightly reduce as a function of the oligomer length (~0.1 - 0.3 𝑒𝑉 reduction for each repeated monomer). As both gaps are reduced by a similar amount per repeated monomer, they counteract each other and the total effect that oligomer length has on the exciton binding energy is very low. Geometry relaxation and thermal effects showed the largest impact on the fundamental gap and exciton binding energy, with their combined effect resulting in a ~0.5 𝑒𝑉 reduction in binding energy. / Non-Fullerene Acceptorer (NFAs) har rönt stort intresse för användning i organiska solceller (OPVs) på grund av genombrott på senare tid gällande deras effektomvandlingsverkningsgrad och en mängd andra fördelar som de erbjuder jämfört med sina fullerene-baserade motsvarigheter. I det här arbetet har en ny lovande polymer-acceptor, PF5-Y5, studerats med hjälp av täthetsfunktionalteori (DFT) och tidsberoende täthetsfunktionsteori (TD-DFT). Effekterna som oligomerlängd, geometri-avslappning och utbytes-korrelations-interaktion har på exciton-bindningsenergin (skillnaden mellan optiska ochfundamentala energigapen) har även undersökts.  Både erhållna värden för det fundamentala och optiska gapet påverkas avsevärt av valet av funktional (dvs. beskrivningen av utbytes-korrelations-interaktionen). Valet av funktional verkar dock inte nämnvärt påverka erhållna värden för excitonbindningsenergin då effekterna från det fundamentala och optiska gapen till stor del tar ut varandra.  Både det fundamentala och optiska energigapet minskar som en funktion av oligomerlängden (~0.1 - 0.3 𝑒𝑉 minskning för varje upprepad monomer). Eftersom båda energigapen minskar ungefär lika mycket för varje upprepad monomer så motverkar de till stor grad varandra; och den totala effekten som oligomerlängd har på exciton-bindningsenergin förblir låg. Strukturell relaxation (eng: geometry relaxation) och termiska effekter visade sig ha störst påverkan på det fundamentala energigapet och exciton-bindningsenergin, och deras sammanlagda effekt ledde till en ~0,5 𝑒𝑉 reduktion i bindningsenergi.

Industrial innovation is mostly driven by miniaturization. As a result of remarkable technological advancements in the fields of equipment, materials and production processes, transistor, the fundamental active component in conventional electronics, has shrunk in size. Semiconductor technology is unique in that all performance metrics are enhanced, while at the same time unit prices are reduced. Moore’s Law, which predicts that the number of components per chip will double every two years, was established in 1965, and the industry has been able to keep up with this prophetic prognosis since. Thermal management, on the other hand, has become a key limiting factor for current electronic circuits and is set to put a stop to Moore’s Law. Given the fact that complementary metal oxide semiconductor (CMOS) scaling is reaching fundamental limits, there are several new alternative processing devices and architectures that have been investigated for both traditional integrated circuit (IC) technologies and novel technologies, including new technologies aimed at contributing to advances in scaling progress and cost reductions in manufacturing operations in the coming decades. These factors will encourage the development of new information processing and memory systems, new technologies for integrating numerous features heterogeneously and new system architectural design layouts, among other things. Energy efficiency is advantageous from a sustainability perspective and for consumer electronics, for which fewer power-hungry components mean longer times between charges and smaller batteries. The creation of novel chip-scale tools that can aid in the transfer of information across optical frequencies and microscale photonics between nanoscale electronic devices is now a possibility. Bridging this technological gap may be achieved by plasmonics. The incorporation of plasmonic, photonic and electrical components on a single chip may lead to a number of innovative breakthroughs. Photonic integrated circuits (PICs) enable the realization of ultra-small, high-efficiency, ultra-responsive and CMOS-compatible devices that can be used in applications ranging from optical wireless communication systems (6G and beyond) and supercomputers to health and energy.   This thesis provides a platform from which to design nanoplasmonic devices while facilitating high-transmission and/or absorption efficiency, miniaturized size and the use of near-infrared (NIR) wavelengths for telecom applications. With a significant amount of Internet traffic transmitted optically, communication systems are further tightening the requirements for the development of new optical devices. Several new device structures based on the metal-insulator-metal (MIM) plasmonic waveguide are proposed and investigated using performance metrics. The transmission line theory (TLM) from microwave circuit theory and coupled mode theory (CMT) is studied and employed in the design process of the nanostructures, in particular to address the losses in plasmonic-based devices, which has been the major factor hampering their widespread usage in communication systems. By taking advantage of well-established microwave circuit theory (through new design that paves the way for mitigating these losses and enabling efficient transmission of power flow in the optical devices), we have suggested a number of high-transmission efficiency nanodevices that offer highly competitive performance compared with other platforms. As a result, a promising future for plasmonic technology, which would enable design and fabrication of multipurpose and multifunctional optical devices that are efficient in terms of losses, footprint and capability of integrating active devices, is anticipated. / Branschinnovation drivs främst av miniatyrisering. Som ett resultat av anmärkningsvärda tekniska framsteg inom områdena utrustning, material och produktionsprocesser kunde transistoren, den grundläggande aktiva komponenten i samtida elektronik, krympa i storlek. Halvledarteknik är unik genom att alla prestandamått förbättras, samtidigt som enhetspriserna sänks. Moores Lag, som förutspår att antalet komponenter per chip skulle fördubblas vartannat år, inrättades 1965, och branschen har kunnat hålla jämna steg med den profetiska prognosen sedan dess. Termisk hantering, å andra sidan, har blivit en viktig begränsande faktor för nuvarande elektroniska kretsar, och är inställd på att sätta stopp för Moores Lag. Med tanke på att CMOS-skalningen (Complementary Metal Oxide Semiconductor) når grundläggande gränser finns det flera nya alternativa bearbetningsanordningar och arkitekturer som har undersökts för både traditionell integrerad kretsteknik och ny teknik. Ny teknik som syftar till att bidra till framsteg i skalningen av framsteg och kostnadsminskningar i tillverkningsverksamheten under de kommande årtiondena. Dessa faktorer uppmuntrar utvecklingen av nya informationsbehandlings- och minnessystem, ny teknik för att integrera många funktioner heterogent och nya systemarkitekturdesignlayouter, bland annat. Energieffektivitet är fördelaktigt ur ett hållbarhetsperspektiv och för hemelektronik, där färre krafthungriga elektroniker innebär längre tid mellan laddningar och stimulerar för ett mindre energilagringssystem ombord. Skapandet av nya chip-scale verktyg som kan bidra till överföring av information över optiska frekvenser och mikroskala fotonik mellan elektroniska enheter i nanoskala är nu en möjlighet. Överbrygga denna tekniska klyfta kan uppnås av plasmonics. Införlivandet av plasmoniska, fotoniska och elektriska komponenter på ett enda chip kan leda till ett antal innovativa genombrott. Fotoniska integrerade kretsar (PIC-enheter) möjliggör förverkligande av ultrasmå, högeffektiva, ultraresponsiva och CMOS-kompatibla enheter som kan användas i applikationer som sträcker sig från optiska trådlösa kommunikationssystem (6G och därefter), superdatorer till hälso- och energiändamål. Denna avhandling ger en plattform för att designa nanoplasmoniska enheter samtidigt som den innehåller hög överförings- och eller absorptionseffektivitet, miniatyriserad storlek och vid önskade våglängder av nära infraröd (NIR) för telekomapplikationer. Med den betydande mängden Internettrafik som överförs optiskt skärper kommunikationssystemen ytterligare kraven för utveckling av nya optiska enheter. Flera nya enhetsstrukturer baserade på metall-isolator-metall (MIM) plasmonisk vågledare föreslås och numeriskt undersöks. Överföringslinjeteorin (TLM) från mikrovågskretsteori och kombinationslägesteori (CMT) studeras och används i nanostrukturerna. För att ta itu med de förluster i plasmonbaserade enheter som har varit den viktigaste parametern som hindrade deras utbredda användning i kommunikationssystem, genom att dra nytta av den väletablerade mikrovågskretsteorin (genom ny design som banar väg för att mildra förlusterna och möjliggöra effektiv överföring av kraftflödet i den optiska enheten).  Vi har framgångsrikt föreslagit ett antal nanodevices med hög överföringseffektivitet som erbjuder en mycket konkurrenskraftig prestanda jämfört med andra plattformar. Som ett resultat förväntar vi oss en lovande framtid för plasmonisk teknik som skulle möjliggöra design och tillverkning av mångsidiga och multifunktionella optiska enheter som är effektiva när det gäller förluster, fotavtryck och förmåga att integrera aktiva enheter. / <p>Vid tidpunkten för framläggandet av avhandlingen var följande delarbeten opublicerade: delarbete II inskickat, III, IV, V manuskript.</p><p>At the time of the licentiate defence the following papers were unpublished: paper II submitted, III, IV, V manuscript.</p>

Over the past 20 years’ researchers have tried to utilize the remarkable properties of single-walled carbon nanotubes (SWCNTs) to create new high-tech materials and devices, such as strong light-weight composites, efficient electrical wires and super-fast transistors. But the mass production of these materials and devices are still hampered by the poor uniformity of the produced SWCNTs. These are hollow cylindrical tubes of carbon where the atomic structure of the tube wall consists of just a single atomic layer of carbon atoms arranged in a hexagonal grid. For a SWCNT the orientation of the hexagonal grid making up the tube wall is what determines its properties, this orientation is known as the chirality of a SWCNT. As an example, tubes with certain chiralities will be electrically conductive while others having different chiralities will be semiconducting. Today’s large scale methods for producing SWCNTs, commonly known as growth of SWCNTs, gives products with a large spread of different chiralities. A mixture of chiralities will give products with a mixture of different properties. This is one of the major problems holding back the use of SWCNTs in future materials and devices. The ultimate goal is to achieve growth where the resulting product is uniform, meaning that all of the SWCNTs have the same chirality, a process termed chirality-specific growth. To achieve chirality-specific growth of SWCNTs requires us to obtain a better fundamental understanding about how they grow, both from an experimental and a theoretical point of view. This work focuses on theoretical studies of SWCNT properties and how they relate to the growth process, thereby giving us vital new information about how SWCNTs grow and taking us ever closer to achieving the ultimate goal of chirality-specific growth. In this thesis, an introduction to the field is given and the current state of the art experiments focusing on chirality-specific growth of SWCNTs are presented. A brief review of the current theoretical works and computer simulations related to growth of SWCNTs is also presented. The results presented in this thesis are obtained using first principle density functional theory. The first study shows a correlation between the stability of SWCNT-fragments and the observed products from experiments. Calculations confirm that in 84% of the investigated cases the chirality of experimental products matches the chirality of the most stable SWCNT-fragments (within 0.2 eV). Further theoretical calculations also reveal a previously unknown link between the stability of SWCNT-fragments and their length. The calculations show that at specific SWCNT-fragment lengths the most stable chirality changes. Thus, introducing the concept of a switching length for SWCNT stability. How these new results link to the existing understanding of SWCNT growth is discussed at the end of the thesis.

The aim of this project is to examine the electric and magneticproperties of three monolayer chromium trihalides when doped withdifferent transitions metals, that is CrXY_6, where X=(Mn,Fe,Co,Ni,V)and Y=(Cl,Br,I). The calculations were made using the software programQuantum Espresso that used density functional theory to solveSchrödinger’s equation. The first step of the calculations was to optimize the atomic positionsand the lattice parameters to find the ground state energy of thecompounds. The magnetic configuration was also examined to find thefavorable configuration. With the optimized values for each compound,the band structure, density of states and the projected density ofstates was calculated. The results confirmed the ferromagnetic behaviorof non-doped compounds, however for some of the doped compounds themagnetic configurations changed to anti-ferromagnetic. Most of thecompounds retained their semiconductor properties when doped and had aband gap near the fermi-energy, while other changed to metallic or halfmetallic and had available electron states at fermi-energy.

No description available.