In modern technology exciting developments are related to the ability to understand and control interfaces. Particularly, magnetic interfaces revealing spindependent electron transport are of great interest for modern spintronic devices, such as random access memories and logic devices. From the technological point of view, spintronic devices based on magnetic interfaces enable manipulation of the magnetism via an electric field. Such ability is a result of the different quantum effects arising from the magnetic interfaces (for example, spin transfer torque or spin-orbit torque) and it can reduce the energy consumption as compared to the traditional semiconductor electronic devices. Despite many appealing characteristics of these materials, fundamental understanding of their microscopic properties and related phenomena needs to be established by thorough investigation. In this work we implement first principles calculations in order to study the structural, electric, and magnetic properties as well as related phenomena of two types of interfaces with large potential in spintronic applications: 1) interfaces between antiferromagnetic 3d-metal-oxides and ferromagnetic 3d-metals and 2) interfaces between non-magnetic 5d(4d)- and ferromagnetic 3d-metals. A major difficulty in studying such interfaces theoretically is the typically large lattice mismatch. By employing supercells with Moir e patterns, we eliminate the artificial strain that leads to doubtful results and are able to describe the dependence of the atomic density at the interfaces on the component materials and their thicknesses. After establishing understanding about the interface structures, we investigate the electronic and magnetic properties. A Moir e supercell with transition layer is found to reproduce the main experimental findings and thus turns out to be the appropriate model for simulating magnetic misfit interfaces. In addition, we systematically study the magnetic anisotropy and Rashba band splitting at non-magnetic 5d(4d) and ferromagnetic 3d-metal interfaces and their dependences on aspects such as interdiffusion, surface oxidation, thin film thickness and lattice mismatch. We find that changes of structural details strongly alter the electronic states, which in turn influences the magnetic properties and phenomena related to spin-orbit coupling. Since the interfaces studied in this work have complex electronic structures, a computational approach has been developed in order to estimate the strength of the Rashba band splitting below and at the Fermi level. We apply this approach to the interfaces between a Co monolayer and 4d (Tc, Ru, Rh, Pd, and Ag) or 5d (Re, Os, Ir, Pt, and Au) transition metals and find a clear correlation between the overall size of the band splitting and the charge transfer between the d-orbitals at the interface. Furthermore, we show that the spin splitting at the Fermi surface scales with the induced orbital moment weighted by the strength of the spin-orbit coupling.

<p>Superluminescent diodes have become important for various applications, such as for biomedical imagining, due to their broad spectral width and high power.</p><p>This thesis demonstrates two-section superluminescent diodes fabricated using quantum well intermixing with strained Ga_0.75sln_0.25As quantum wells, grown on a GaAs substrate. A 100 nm capping layer of Ga_0.515In_0.485P grown at low temperature and having an excess of phosphorus, was removed from one section of the device to produce a relative bandgap shift between sections after rapid thermal annealing. The devices emitted at a wavelength of ~1μm with 60 nm of spectral width, and up to 38 mW of power at 20°C, depending on the currents applied to each section.</p><p>The combination of the spectral output from the two quantum well intermixed sections resulted in the broad spectral width. Angled facets at 7 ° were used to prevent the device from lasing. Additional power improvements were seen following the thermal anneal when a SiO2 capping layer was used on both sections. Depending on the applied currents, each section required 1.5 V to 3.0 V; and failed at 5.3 V ± 0.5 V.</p> / Thesis / Master of Applied Science (MASc)

Graded InGaN buffers were employed to relax the strain arising from the lattice and thermal mismatch in GaN/InGaN epilayers grown on sapphire. An enhanced strain relaxation was observed in GaN grown on a stack of five InGaN layers, each 200 nm thick with the In content increased in each layer, and with an intermediate thin GaN layer, 10 nm thick inserted between the InGaN layers, as compared to the conventional two-step growth of GaN epilayer on sapphire. The function of the intermediate layer is to progressively relax the strain and to annihilate the dislocations that build up in the InGaN layer. If the InGaN layers were graded too rapidly, more dislocations will be generated. This increases the probability of the dislocations getting entangled and thereby impeding the motion of the dislocations to relax the strain in the InGaN layer. The optimum growth conditions of the intermediate layer play a major role in promoting the suppression and filling of the V-pits in the GaN cap layer, and were empirically found to be a thin 10 nm GaN grown at 750 0°C and annealed at 1000 0°C. / Singapore-MIT Alliance (SMA)

Pure and palladium&amp / #8208 / covered 350 nm thick magnesium thin films were deposited on glass substrates via thermal evaporation. In the as&amp / #8208 / deposited state, films were highly textured with Mg (001) parallel to the substrate. Hydrogen loading experiments were carried out in two different conditions / namely isothermal and isochronal. Hydrogenation behaviors of the thin films were followed by twopoint probe electrical resistance and optical transmittance measurements, as well as x&amp / #8208 / ray diffraction studies. Isothermal hydrogenation experiments conducted on Pd&amp / #8208 / covered Mg thin films have revealed that these films can absorb hydrogen at temperatures starting from 333 K, producing MgH2 with a random texture. When the films were heated slowly starting from the room temperature, on the other hand, hydrogenation gives rise to a textured MgH2, where (110) parallel to the substrate with a minor (101) component. Formation of the textured hydride in isochronal loading was discussed within the context of lattice mismatch in Mg to MgH2 transformation. It was further shown that formation of such a textured hydride in Mg thin films minimizes in&amp / #8208 / plane lattice distortion.

Devices with ZnCdS/ZnS heterojunction partner layer have shown better blue photon response due to higher band gap of these compounds as compared to devices with CdS heterojunction partner layer. CdS heterojunction partner layer has shown high photovoltaic conversion efficiencies with CIGS absorber layer while efficiencies are lower with CuIn1-xGaxS2 (CIGS2). A negative conduction band offset has been observed for CdS/CIGS2 as compared to near flat conduction band alignment in case of CdS/CIGS devices, which results in higher interface dominated recombination. Moreover, it has been predicted that optimum band offsets for higher efficiency solar cells may be achieved for cells with alternative heterojunction partner such as ZnS. With varying ratio of Zn/ (Zn+Cd) in ZnxCd1-xS a range of bandgap energies can be obtained and thus an optimum band offset can be engineered. For reducing interface dominated recombination better lattice match between absorber and heterojunction partners is desirable. Although CdS has better lattice match with CuIn1-xGaxS2 absorber layer, same is not true for CuIn1-xGaxS2 absorber layers. Utilizing ZnxCd1-xS as heterojunction partner provides a range of lattice constant (between aZnS= ~5.4 Ǻ and aCdS= ~5.7 Ǻ) depending on Zn/(Zn+Cd). Therefore better lattice match can be obtained between heterojunction partner and absorber layer. Better lattice match will lead to lower interface dominated recombination, hence higher open circuit voltages. In the present study chemical bath deposition parameters are near optimized for high efficiency CIGS2 Solar cells. Effect of various chemical bath deposition parameters on device performance was studied and attempts were made to optimize the deposition parameters in order to improve the device performance.In/(In+Ga) ratio in absorber layer is varied to obtain good lattice match and optimum band alignment. Solar cells with conversion efficiencies comparable to conventional CdS/CIGS2 has been obtained with ZnxCd1-xS /CIGS2. High short current as well as higher open circuit voltages were obtained with ZnxCd1-xS as alternative heterojunction partner for CIGS2 solar cells as compared to SLG/Mo/CIGS2/ CdS / i-ZnO/ZnO:Al.

No description available.

GaP ist ein Halbleiter mit einer großen Bandlückenenergie und infolgedessen transparent im größten Teil der sichtbaren Wellenlängen. GaP hat außerdem die kleinste Gitterfehlanpasung zu Si (weniger als 0.4%). Das macht GaP ein interessantes Material für monolithische Integration zu III–V Lichtsender auf Si. Diese Arbeit ist eine Untersuchung über die strukturellen und optische Eigenschaften von (Al, Ga) (As, P) Heterostrukturen auf GaP (001) -Substrat aufgewachsen. Die Einflüsse des PH3 Fluss und Wachstumstemperatur untersucht auf dem Kristallqualität und Oberflächenqualität von AlGaP/GaP Heterostructure. Experimentelle Ergebnisse deuten darauf hin, dass eine Wachstumstemperatur von 490 oC und ein geknackter (engl. cracked) PH3 Fluss von 2.7 sccm zur besten AlGaP Qualität und gleichzeitig zur guten GaP Qualität führen. Um die ineffiziente Lichtemission von GaP zu überwinden wurde GaAs in der GaP-Matrix gewachsen. Die Entstehung der Quantenpunkte wurde durch die 3.7% Gitterfehlanpassung zwischen GaAs und GaP für GaAs Nenndicke über 1,2 ML. Die optischen Messungen zeigen zwei Peaks im Bereich von 1,7 bis 2,1 eV und die Lumineszenz auf Raumtemperatur für 2,7 und 3,6 ML-Proben. Die hohe Energieemission wird der indirekten Rekombination in den dünnen Quantentröge oder kleine gespannte Quantenpunkte zurückzuführen, Während die niedrige Energie Emission ist aufgrund der direkten Elektron-Loch- Rekombination in der entspannten Quantenpunkte. Die Wirkung von Al wird untersucht auf die energetische Bandausrichtung und auf die elektronische Struktur der (Al,Ga)As Quantenstrukturen. Die optische Spektren zeigten einen blaue Verschiebung (engl. blue shift) mit wachsendem Al-Inhalt und die höchste missionsenergie für die (Al,Ga)As/GaP- Heterostruktur war 2.17 eV die zum indirekten Typ-II-Rekombination zusammenhängt. / Transparency of GaP due to the large indirect bandgap energy and its small lattice mismatch with Si make GaP an interesting candidate for optoelectronic devices in visible wavelength. This thesis is an investigation on the structural and optical characteristics of (Al,Ga)(As,P) heterostructures grown on GaP (001) substrates. The influences of the PH3 flux and growth temperature are studied on the crystal and surface quality of AlGaP/GaP heterostructure. The results indicate the narrow growth window of PH3 = 2.7 sccm and growth temperature = 490oC as the optimized conditions. To overcome the inefficient light emission of indirect GaP, direct bandgap GaAs was grown as the quantum structures in the GaP matrix. The QD formation is driven by the 3.7% lattice mismatch between GaAs and GaP for GaAs nominal thickness above 1.2 ML. The optical measurements show two peaks in the range of 1.7 to 2.1 eV and the luminescence up to room temperature for 2.7 and 3.6 ML samples. The high energy emission is attributed to indirect carrier recombination in the thin quantum wells or small strained quantum dots, whereas the low energy red emission is due to the direct electron-hole recombination in the relaxed quantum dots. The influence of the Al content on the band alignment and electronic structure of (Al,Ga)As quantum structures is studied. The optical spectra illustrate the blueshift of the radiative emission with increasing the Al content and the highest emission energy of 2.17 eV is observed for the (Al,Ga)As/GaP system that is related to the indirect type-II radiative recombination.

The thesis entitled “Local structure-property relationship in some selected Solid State Materials” mainly focuses on two fundamental topics: (a) evaluation of some standard global structural concepts in terms of local structure to provide a unique description of the crystal structure, and (b) the role of the crystal structure at different length-scales in controlling the properties in some selected materials.

In der vorliegenden Arbeit wurde mit Hilfe eines Photon-STM die Korrelation zwischen optischen Eigenschaften und der lokalen Morphologie an zwei unterschiedlichen Systemen untersucht. Hierfür wurden zum einem oxidgetragene Ensemble von Silber-Partikeln präpariert, wobei sowohl die Partikelform (Kuppel- und Scheibenform) als auch die deponierte Partikeldichte variiert werden konnte. Neben der Präparation solcher Partikel auf Al10O13/NiAl, konnten sphärische Silber-Kolloide geordnet, als auch ungeordnet auf HOPG aufgebracht und untersucht werden. Dabei zeigte sich, dass das Verhältnis von Höhen zu Breiten nicht nur einen signifikanten Einfluss auf die Mie-Resonanz des einzelnen Partikels hat, sondern auch die elektromagnetische Kopplung der Partikel in einem Ensemble stark kontrolliert. Die energetische Lage der Mie-Resonanz zeigt im Fall der kuppelförmigen Ag-Partikel eine starke Abhängigkeit vom Intepartikel-Abstand, was sich in einer Verschiebung zu höheren Energien für eine steigende Partikeldichte äußert. Eine solche Abhängigkeit konnte bei den Ensembles der scheibenförmigen Partikel nicht beobachtet werden. Des weiteren zeigte sich, dass, verglichen mit den ungeordneten Ensembles, die selbstorganisierte langreichweitige Ordnung der Silber-Kolloide auf HOPG nur einen schwachen Einfluss auf die energetische Position der Mie Resonanz hat.Das zweite hier untersuchte System sind dünne MgO Filme unterschiedlicher Dicken auf einem Mo(001) Substrat. Diese zeigen ein reichhaltiges Wachstumsverhalten, welches durch eine Differenz in den Gitterkonstanten von 5.3% begründet ist und erst ab etwa 25 ML zu einem flachen und defektarmen Film führt. Die so induzierte Spannung relaxiert bis zu einer Dicke von etwa 7 ML in einer periodischen Überstruktur die aus abwechselnd flachen und verkippten Ebenen an der MgO-Mo Grenzschicht hervorgeht. Für MgO Filme mit einer Dicke von etwa 12 ML werden dann Schraubenversetzungen, ausgedehnte verkippte Ebenen und Stufenkanten mit einer Orientierung entlang der Richtung beobachtet. Die optische Charakterisierung durch Feldemission von Elektronen aus der STM-Spitze in den MgO-Film wird dominiert von zwei Emissionsmaxima bei Energien von 3.1 eV und 4.4 eV. Die kontrollierte Nukleation von Gold Partikeln und die Erzeugung von Farbzentren im MgO Film erlaubten eine Zuordnung dieser Emissionen zu strahlenden Zerfällen von Exitonen an Ecken, Kinken bzw. Stufen des Magnesiumoxids. Solche Emissionsprozesse konnten allerdings nur unter Einstellungen beobachtet werden, bei denen ein gleichzeitiges Rastern der Oberfläche unmöglich ist. Bei moderaten Einstellungen war auch eine ortsaufgelösten Spektroskopie möglich, wobei dann neue Emissionsmechanismen beobachtet wurden. Dabei sind zwei Prozesse wesentlich; zum einen die Ausbildung von sog. Spitzen-induzierten Plasmonen im Bereich zwischen Spitze und dem Mo-Substrat, zum anderen strahlende Elektronenübergänge zwischen sog. Feldemissionsresonanzen, die sich im Spitze/MgO-Film System ausbilden. / In this thesis, the correlation between the optical properties and the local morphology of supported silver nanoparticle ensembles and MgO thin films deposited on Mo(001) systems is explored by means of Photon-STM. In the first section, dome and disk shaped Ag nanoparticle ensembles with increasing density on an alumina film on NiAl(110) were analyzed as well as ordered and disordered ensembles of Ag nanocolloids on HOPG. The aspect ratio of the Ag nanoparticles was found to have a significant influence not only on the Mie plasmon resonance of a single particle, but also on the electromagnetic coupling within the nanoparticle ensembles. The Mie resonance in the ensemble of dome shaped Ag nanoparticles shows a strong dependence on the interparticle distance, where it shifts to higher energies with increasing particle density, due to destructive interference effects. In the disk-like Ag ensembles, however, the plasmon energy is independent of particle-particle separation. The long-range lateral ordering of size-selected Ag nanocolloids is found to induce a high dipole-dipole coupling within the ensemble. This is mainly reflected by the enhancement of the spectral intensity of the in-plane Mie mode, due to constructive coupling. However, ensembles with either well-ordered or disordered arrangements reveal no important difference in their optical properties, reflecting the weak influence of the long-range order in the particle ensemble. Thin MgO films with different thicknesses were grown on a Mo(001) surface. The stress resulting from the 5.3% lattice mismatch between the MgO(001) and the Mo(001) lattice parameters is found to control the surface morphology of the MgO film until thicknesses of around 25ML at which flat and defect-poor films are obtained. The relaxation of the stress induces a periodic network in the first 7ML of the MgO film, consisting of alternated flat and tilted mosaics. The presence of screw dislocations, steps oriented along the MgO directions, and tilted planes is observed when the MgO films are approximately 12ML thick. In addition, an increase of the MgO work function around these new surface features is revealed from STM spectroscopy. The photon emission induced by field-emitted electron injection from the STM tip into the MgO films is dominated by two emission bands located at 3.1eV and 4.4eV. To check the origin of these bands, further experiments, namely, nucleation of Au particles and creation of F-centers on the MgO surface, have been performed. The nucleation of Au particles at the low coordinated sites is found to quench the MgO optical signal, while the creation or annihilation of F-centers does not alter the MgO emission bands. The 3.1eV and the 4.4eV bands are therefore assigned to the radiative decay of MgO excitons at corner and kink sites, and step sites, respectively. Besides, spatially resolved optical measurements in the tunneling mode of the STM revealed different light emission mechanisms. These radiative processes are mainly related to tip-induced plasmons that form between the tip and the Mo support and to electron transitions between field-emission-resonance states in the STM tip-MgO film junction. The signal from exciton decays at corners and kinks of the MgO surface is however only observed at excitation conditions where the spatial resolution is already strongly reduced.