We investigate the energy levels of a particle confined in the isotropic oscillator potential with a magnetic and spatially varying electric field. Here we are able to exactly solve the Schrodinger equation, using matrix methods, for the first excited states. To this end we find that the spatial gradient of the electric field acts as a magnetic field in certain circumstances. Here we present the changes in the energy levels as functions of the electric field, and other parameters.

Semiconductor industry seems to approach a wall where physical geometry and power density issues could possibly render the device fabrication infeasible. Quantum-dot Cellular Automata (QCA) is a new nanotechnology that claims to offer the potential of manufacturing even denser integrated circuits, which can operate at high frequencies and low power consumption. In QCA technology, the signal propagation occurs as a result of electrostatic interaction among the electrons as opposed to flow to the electrons in a wire. The basic building block of QCA technology is a QCA cell which encodes binary information with the relative position of electrons in it. A QCA cell can be used either as a wire or as logic. In QCA, the directionality of the signal flow is controlled by phase-shifted electric field generated on a separate layer than QCA cell layer. This process is called clocking of QCA circuits. The logic realization using regular structures such as PLAs have played a significant role in the semiconductor field due to their manufacturability, behavioral predictability and the ease of logic mapping. Along with these benefits, regular structures in QCA's would allow for uniform QCA clocking structure. The clocking structure is important because the pioneers of QCA technology propose it to be fabricated in CMOS technology. This thesis presents a detailed design implementation and a comparative analysis of logic realization using regular structures, namely Shannon-Lattices and PLAs for QCAs. A software tool was developed as a part of this research, which automatically generates complete QCA-Shannon-Lattice and QCA-PLA layouts for single-output Boolean functions based on an input macro-cell library. The equations for latency and throughput for the new QCA-PLA and QCA-Shannon-Lattice design implementations were also formulated. The correctness of the equations was verified by performing simulations of the tool-generate layouts with QCADesigner. A brief design trade-off analysis between the tool-generated regular structure implementation and the unstructured custom layout in QCA is presented for the full-adder circuit.

This dissertation addresses two aspects of the theory and simulation of stress-diffusion coupling in semiconductors. The first part is a study of the role of kinetics in the formation of pits in stressed thin films. The second part describes how atomic-scale calculations can be used to extract the thermodynamic and elastic properties of point-defects.<br />Recently, pit nucleation has been observed in a variety of semiconductor thin films. We present a model for pit nucleation in which the adatom concentration plays a central role in controlling the morphological development of the surface. Although pits relieve elastic energy more efficiently than islands, pit nucleation can be prevented by a high adatom concentration. Three-dimensional islands act as adatom sinks and the lower adatom density in their vicinity promotes pit nucleation. Thermodynamic considerations predict several different growth regimes in which pits may nucleate at different stages of growth depending on the growth conditions and materials system. When kinetics are taken into account, the model predicts a wide range of possible morphologies: planar films, islands alone, island nucleation followed by pit nucleation, and pits alone. The model shows good agreement with experimental observations in III-V systems given the uncertainties in quantifying experimental parameters such as the surface energy.<br />The same stresses which lead to the nucleation of surface features can have a significant effect on the stability of dopant profiles by altering diffusivities and by inducing chemical potential gradients. We perform an extensive set of empirical calculations regarding a simple model point-defect, a vacancy in the Stillinger Weber model of silicon. In the context of these calculations we devise a method to extract the strength of the elastic relaxation in the vicinity of the defect. This quantity is extracted from the leading order term which must be evaluated sufficiently far from the defect and the boundaries. It is also directly related to the formation volume, the thermodynamic quantity that couples the defect free energy to the externally applied stress. We propose that this method of extracting the formation volume is more accurate than a direct measurement of the surface relaxation for large system sizes.

Les Quantum Dots (QDs) sont des nanocristaux de semiconducteurs qui possèdent des propriétés optiques hors du commun. Leur utilisation comme sondes en biologie nécessite leur solubilisation dans l'eau, grâce à une chimie de surface adaptée, qui influence la taille finale du QD, ses propriétés optiques et son interaction avec l'environnement biologique. Nous avons développé un nouveau ligand, l'acide dihydrolipoïque-sulfobétaïne (DHLA-SB), qui permet d'obtenir des QDs à la fois petits, stables dans une vaste gamme de pH, dans des solutions saturées en sel et dans le temps, et avec une très faible adsorption non spécifique sur les cellules. Nous avons observé et caractérisé le comportement intracellulaire des QDs DHLA-SB au cours du temps et nous l'avons comparé à celui de deux autres classes de QDs : cette étude a clairement montré l'influence de la chimie de surface sur le devenir intracellulaire des nanoparticules et a révélé une stabilité accrue des QDs DHLA-SB. Nous nous sommes également intéressés à la fonctionnalisation des QDs avec la streptavidine (SA) ou la biotine afin de marquer spécifiquement des cellules vivantes ou fixées. Les QDs-SA DHLA-SB obtenus ont permis de suivre un récepteur membranaire ou encore de marquer de façon spécifique une protéine biotinylée à l'intérieur de cellules vivantes, bien plus efficacement qu'avec les QDs-SA commerciaux (Invitrogen). Enfin, nous avons proposé d'utiliser les QDs DHLA-SB pour améliorer une technique de microscopie à illumination structurée, la microscopie HiLo bicouleur, et obtenir une coupe optique (type image confocale) d'échantillons biologiques épais en une seule image.

<p>Thermistor material can be used to fabricate un-cooled IR detectors their figure of merit is the Temperature Coefficient of Resistance (TCR). Ge dots in Si can act as a thermistor material and they have a theoretical TCR higher than for SiGe layers but they suffer from intermixing of Si into the Ge dots. Ge dots were grown on unstrained or strained Si layers and relaxed or strained SiGe layers at temperatures of 550 and 600°C by reduced pressure chemical vapor deposition (RPCVD). Both single and multilayer structures where grown and characterized. To achieve a strong signal in a thermal detector a uniform shape and size distribution of the dots is desired. In this thesis work, an endeavor has been to grow uniform Ge dots with small standard deviation of their size. Scanning electron microscopy (SEM) and Atomic force microscopy (AFM) have been used to characterize the size and shape distribution of Ge dots. Ge contents measured with Raman spectroscopy are higher at lower growth temperatures. Simulation of TCR for the most uniform sample grown at 600°C give 4.43%/K compared to 3.85%/K for samples grown at 650°C in a previous thesis work.</p><p>Strained surfaces increases dot sizes and make dots align in crosshatched pattern resulting in smaller density, this effect increases with increasing strain.</p><p>Strain from buried layers of Ge dots in a multilayer structure make dots align vertically. This alignment of Ge dots was very sensitive to the thickness of the Si barrier layer. The diameter of dots increase for each period in a multilayer structure. When dots are capped by a Si layer at the temperature of 600°C intermixing of Si into the Ge dot occurs and the dot height decrease.</p>

Open quantum dots (OQDs) are now commonly used as an experimental tool for the investigation of a particular regime of quantum transport where the electron dynamics is both ballistic and coherent. In particular, the Universal Conductance Fluctuations (UCFs), observed in ballistic quantum dots, arise from the complex quantum interferences occurring between electron trajectories that bounce multiple times against the dot walls before escaping through its leads. Central to quantum interference phenomena is the presence of a magnetic field B that breaks the time-reversal symmetry and changes the phase experienced by electrons in the dot. OQDs are typically patterned on top of two-dimensional electron gases (2DEGs). Interestingly, when confined to wide GaAs quantum wells (QWs), 2DEGs are known to exhibit a rich physics arising from the interplay of a strong in-plane magnetic field, multiple subband occupation, and the finite thickness of the electronic wavefunction. In this thesis, we use 2DEGs, confined to wide (WQW) and narrow (NQW) quantum wells with one and two occupied subbands at B = 0 T, respectively, to study the parallel field-induced transport in open quantum dots as a function of the well width and the tilt angle of B with respect to the electron gas. Both the WQW and NQW dots feature a rich spectrum of UCFs at intermediate tilt angles and, quite unexpectedly, under a strictly parallel B. Combined with the observation, in the case of the WQW dot, of a reduction in UCFs amplitude at large parallel B, our data indicates that the finite thickness of the electron layer and the orbital effect are responsible for the in-plane field-induced UCFs. In the second part of this work, we observe a saturation of the UCFs spectral distribution, expressed in terms of an effective tilt angle, as B approaches a strictly parallel configuration, along with the persistence of a limited number of frequency components in the case of the narrow quantum well dot. It is found that the saturation angle strongly depends on the width of the 2DEG confining well. Using the results of self-consistent Poisson-Schrödinger simulations, the magnetoconductance is rescaled as a function of the Fermi level E_F in the 2DEG. A power spectrum analysis of the parallel B UCFs in energy space and its good agreement with theoretical predictions suggest that such a B to E_F mapping is indeed relevant for the interpretation of parallel B-induced UCFs

La biopsie du ganglion sentinelle (GS) est actuellement la technique de référence pour le diagnostic des métastases ganglionnaires du cancer du sein. Cependant, les traceurs utilisés pour la cartographie du GS (colorant bleu et radiocolloïde) ne sont pas idéaux et peuvent occasionner des réactions allergiques et engendrer des coûts importants. Une alternative à l'utilisation de ces traceurs repose sur le repérage du GS par imagerie de fluorescence proche infrarouge à l'aide de nanoparticules. Deux types de nanoparticules ont été étudiés : les Quantum Dots (QDs) à base d'indium et les nanoparticules de silice (NPSi) renfermant de la cyanine 7. Notre étude s'est basée sur des QDs-indium, dont la toxicité est supposée être plus faible que celle des QDs à base de cadmium. La visualisation du GS par les traceurs actuels étant altérée par l'envahissement métastatique du ganglion, un modèle murin de carcinome mammaire présentant des métastases ganglionnaires a été utilisé. La présence de cellules métastatiques dans le ganglion n'affecte pas la migration des QDs puisqu'aucune différence d'intensité de fluorescence n'a pu être détectée entre les ganglions sains et les ganglions envahis. L'étude de biodistribution a mis en évidence une capture majeure des QDs au point d'injection et dans les ganglions ainsi qu'une plus faible concentration dans le foie et la rate. La toxicité des QDs a été évaluée in vitro et a démontré une toxicité fortement réduite des QDs-indium par rapport aux QDs-cadmium. Les NPSi ont été largement appliquée à l'imagerie tumorale mais les études portant sur la visualisation du GS sont peu nombreuses. Les avantages de l'encapsulation de la cyanine 7, fluorophore hydrophobe émettant dans le proche infrarouge, dans des NPSi comprennent notamment une meilleure rétention dans le GS et une toxicité in vitro considérablement limitée par rapport au fluorophore libre. Les souris ont été suivies pendant 3 mois après injection de NPSi et aucun signe de toxicité générale ou hépatique n'a pu être décelé. Ces deux types de nanoparticules fluorescentes sont particulièrement bien adaptés à la cartographie du GS et pourraient avantageusement remplacer les traceurs employés actuellement.

Förster Resonance Energy Transfer (FRET) plays an important role for biochemical applications such as DNA sequencing, intracellular protein-protein interactions, molecular binding studies, in vitro diagnostics and many others. For qualitative and quantitative analysis, FRET systems are usually assembled through molecular recognition of biomolecules conjugated with donor and acceptor luminophores. Lanthanide (Ln) complexes, as well as semiconductor quantum dot nanocrystals (QD), possess unique photophysical properties that make them especially suitable for applied FRET. In this work the possibility of using QD as very efficient FRET acceptors in combination with Ln complexes as donors in biochemical systems is demonstrated. The necessary theoretical and practical background of FRET, Ln complexes, QD and the applied biochemical models is outlined. In addition, scientific as well as commercial applications are presented. FRET can be used to measure structural changes or dynamics at distances ranging from approximately 1 to 10 nm. The very strong and well characterized binding process between streptavidin (Strep) and biotin (Biot) is used as a biomolecular model system. A FRET system is established by Strep conjugation with the Ln complexes and QD biotinylation. Three Ln complexes (one with Tb3+ and two with Eu3+ as central ion) are used as FRET donors. Besides the QD two further acceptors, the luminescent crosslinked protein allophycocyanin (APC) and a commercial fluorescence dye (DY633), are investigated for direct comparison. FRET is demonstrated for all donor-acceptor pairs by acceptor emission sensitization and a more than 1000-fold increase of the luminescence decay time in the case of QD reaching the hundred microsecond regime. Detailed photophysical characterization of donors and acceptors permits analysis of the bioconjugates and calculation of the FRET parameters. Extremely large Förster radii of more than 100 Å are achieved for QD as acceptors, considerably larger than for APC and DY633 (ca. 80 and 60 Å). Special attention is paid to interactions with different additives in aqueous solutions, namely borate buffer, bovine serum albumin (BSA), sodium azide and potassium fluoride (KF). A more than 10-fold limit of detection (LOD) decrease compared to the extensively characterized and frequently used donor-acceptor pair of Europium tris(bipyridine) (Eu-TBP) and APC is demonstrated for the FRET system, consisting of the Tb complex and QD. A sub-picomolar LOD for QD is achieved with this system in azide free borate buffer (pH 8.3) containing 2 % BSA and 0.5 M KF. In order to transfer the Strep-Biot model system to a real-life in vitro diagnostic application, two kinds of imunnoassays are investigated using human chorionic gonadotropin (HCG) as analyte. HCG itself, as well as two monoclonal anti-HCG mouse-IgG (immunoglobulin G) antibodies are labeled with the Tb complex and QD, respectively. Although no sufficient evidence for FRET can be found for a sandwich assay, FRET becomes obvious in a direct HCG-IgG assay showing the feasibility of using the Ln-QD donor-acceptor pair as highly sensitive analytical tool for in vitro diagnostics. / Förster Resonanzenergietransfer (FRET) spielt eine wichtige Rolle in biochemischen Anwendungen, wie z.B. DNA-Sequenzierung, intrazellulären Protein-Protein-Wechselwirkungen, molekularen Bindungsstudien, in-vitro-Diagnostik und vielen anderen. Zur quantitativen und qualitativen Analyse werden FRET Systeme normalerweise durch molekulare Erkennung von Biomolekülen, die mit Donator- und Acceptorluminophoren markiert sind, ermöglicht. Durch die besonderen photophysikalischen Eigenschaften sowohl von Lanthanidkomplexen (Ln-Komplexen), als auch Halbleiternanokristallen (sog. Quantenpunkten oder Quantumdots - QD), sind diese besonders für FRET Anwendungen geeignet. In der vorliegenden Arbeit wird effizienter FRET zwischen Ln-Komplexen und QD in biochemischen Systemen demonstriert. Die notwendigen theoretischen und praktischen Grundlagen über FRET, Ln-Komplexe, QD und die verwendeten biochemischen Modelle werden dargestellt, und wissenschaftliche als auch kommerzielle Anwendungen werden präsentiert. FRET kann zur Messung von strukturellen Veränderungen und Dynamiken im Bereich von ca. 1 bis 10 nm verwendet werden. Der sehr starke und gut charakterisierte Bindungsprozess zwischen Streptavidin (Strep) und Biotin (Biot) wird als biomolekulares Modellsystem eingesetzt. Ein FRET System wird durch Streptavidinkonjugation mit Ln-Komplexen und QD-Biotinylierung etabliert. Drei Ln-Komplexe (einer mit Tb3+ und zwei mit Eu3+ als Zentralion) werden als Donatoren verwendet, und neben QD werden zwei weitere Acceptoren, das lumineszierende, quervernetzte Protein Allophycocyanin (APC) und ein kommerzieller Fluoreszenzfarbstoff (DY633), untersucht. FRET kann für alle Donator-Acceptor Paare nachgewiesen werden, zum einen durch sensibilisierte Acceptorlumineszenz und zum anderen durch eine über 1000-fach erhöhte Lumineszenzabklingzeit der QD mit über 100 Mikrosekunden. Mittels detailierter photophysikalischer Charakterisierung der Donatoren und Acceptoren können die Biokonjugate analysiert und die FRET Parameter berechnet werden. Für die QD FRET Systeme ergeben sich extrem große Försterradien von über 100 Å, die wesentlich größer sind als für APC und DY633 (ca. 80 bzw. 60 Å). Besondere Aufmerksamkeit gilt der Wechselwirkung mit den Zusatzreagenzien Boratpuffer, Bovines Serumalbumin (BSA), Natriumazid und Kaliumfluorid (KF) in den wässrigen Lösungen. Im Vergleich zum ausgiebig charakterisierten und vielfach verwendeten Donator-Acceptor Paar aus Europium-tris(Bipyridin) (Eu-TBP) und APC wird eine mehr als 10-fache Senkung der Nachweisgrenze für das FRET-System, bestehend aus Tb-Komplex und QD, erreicht. In azidfreiem Boratpuffer (pH 8,3) mit 2 % BSA und 0,5 M KF wird eine subpicomolare QD-Nachweisgrenze für dieses System aufgezeigt. Um den Transfer des Strep-Biot Modellsystems in eine echte in-vitro-diagnostische Anwendung zu demonstrieren, werden zwei Immuntests zum HCG-(Humanes Choriongonadotropin)-Nachweis untersucht. Sowohl HCG als auch monoklonale anti-HCG Maus-IgG-(Immunoglobulin G)-Antikörper werden mit dem Tb-Komplex bzw. mit QD markiert. Obwohl kein ausreichender Nachweis für FRET in einem immunometrischen Assay (oder Sandwichassay) erbracht werden kann, wird FRET in einem direkten HCG-IgG Assay erzielt, wodurch die Realisierbarkeit von Ln-QD Donator-Acceptor Paaren zur hochsensitiven Anwendung in der in-vitro-Diagnostik gezeigt werden kann.

This thesis studies electron spin phenomena in lateral semi-conductor quantum dots/anti-dots and electron conductance in graphene nanoribbons by numerical modelling. In paper I we have investigated spin-dependent transport through open quantum dots, i.e., dots strongly coupled to their leads, within the Hubbard model. Results in this model were found consistent with experimental data and suggest that spin-degeneracy is lifted inside the dot – even at zero magnetic field. Similar systems were also studied with electron-electron effects incorporated via Density Functional Theory (DFT) in the Local Spin Density Approximation (LSDA) in paper II and III. In paper II we found a significant spin-polarisation in the dot at low electron densities. As the electron density increases the spin polarisation in the dot gradually diminishes. These findings are consistent with available experimental observations. Notably, the polarisation is qualitatively different from the one found in the Hubbard model. Paper III investigates spin polarisation in a quantum wire with a realistic external potential due to split gates and a random distribution of charged donors. At low electron densities we recover spin polarisation and a metalinsulator transition when electrons are localised to electron lakes due to ragged potential profile from the donors. In paper IV we propose a spin-filter device based on resonant backscattering of edge states against a quantum anti-dot embedded in a quantum wire. A magnetic field is applied and the spin up/spin down states are separated through Zeeman splitting. Their respective resonant states may be tuned so that the device can be used to filter either spin in a controlled way. Paper V analyses the details of low energy electron transport through a magnetic barrier in a quantum wire. At sufficiently large magnetisation of the barrier the conductance is pinched off completely. Furthermore, if the barrier is sharp we find a resonant reflection close to the pinch off point. This feature is due to interference between a propagating edge state and quasibond state inside the magnetic barrier. Paper VI adapts an efficient numerical method for computing the surface Green’s function in photonic crystals to graphene nanoribbons (GNR). The method is used to investigate magnetic barriers in GNR. In contrast to quantum wires, magnetic barriers in GNRs cannot pinch-off the lowest propagating state. The method is further applied to study edge dislocation defects for realistically sized GNRs in paper VII. In this study we conclude that even modest edge dislocations are sufficient to explain both the energy gap in narrow GNRs, and the lack of dependance on the edge structure for electronic properties in the GNRs.

Semiconductor nanotechnology is today a very well studied subject, and demonstrations of possible applications and concepts are abundant. However, well-controlled mass-fabrication on the nanoscale is still a great challenge, and the lack of nanofabrication methods that provide the combination of required fabrication precision and high throughput, limits the large-scale use of nanodevices. This work aims in resolving some of the issues related to nanostructure fabrication, and deals with development of nanofabrication processes, the use of size-reduction for reaching true nanoscale dimensions (20 nm or below), and finally the optical and electrical characterization to understand the physics of the more successful structures and devices in this work. Due to its widespread use in microelectronics, silicon was the material of choice throughout this work. Initially, a fabrication process based on electron beam lithography (EBL) was designed, allowing controlled fabrication of devices of dimensions down to 30 nm, although, generally, initial device dimensions were above 70 nm, allowing the flexible but low-throughput EBL, to be replaced by state-of-the-art optical lithography in the case of industrialization of the process. A few main processes were developed throughout the course of this work, which were capable of defining silicon nanopillar and nano-wall arrays from bulk silicon, and silicon nanowire devices from silicon-on-insulator (SOI) material. Secondly, size-reduction, as a means of providing access to few-nanometer dimensions not available by current lithography techniques was investigated. An additional goal of the size-reduction studies was to find self-limiting mechanisms in the process, that would limit the impact of variations in the size and other imperfections of the initial structures. Thermal oxidation was investigated mainly for self-limited size-reduction of silicon nanopillars, resulting in well-defined quantum dot arrays of few-nm dimensions. Electrochemical etching was employed to size-reduce both silicon nanopillars and silicon nanowires down into the 10-nm regime. This being a novel application, a more thorough study of electrochemical etching of low-dimensional and thin-layer structures was performed as well as development of a micro-electrochemical cell, enabling electrochemical etching of fabricated nanowire devices with improved control. Finally, the combination of nanofabrication and size-reduction resulted in two successful device structures: Sparse and spatially well-controlled single silicon quantum dot arrays, and electrically connected size-reduced silicon nanowires. The quantum dot arrays were investigated through photoluminescence spectroscopy demonstrating for the first time atomic-like photoemission from single silicon quantum dots. The silicon nanowire devices were electrically characterized. The current transport through the device was determined to be through inversion layer electrons with surface states of the nanowire surfaces greatly affecting the conductance of the nanowire. A model was also proposed, capable of relating physical and electrical properties of the nanowires, as well as demonstrating the considerable influence of charged surface states on the nanowire conductance. / QC 20101101