Oxide heterostructures are attracting huge interest in recent years due to the special functionalities of quasi two-dimensional quantum gases. In this thesis, the electronic states at the interface between perovskite oxides and pyrite compounds have been studied by first-principles calculations based on density functional theory. Optimization of the atomic positions are taken into account, which is considered very important at interfaces, as observed in the case of LaAlO3/SrTiO3. The creation of metallic states at the interfaces thus is explained in terms of charge transfer between the transition metal and oxygen atoms near the interface. It is observed that with typical thicknesses of at least 10-12 °A the gases still extend considerably in the third dimension, which essentially determines the magnitude of quantum mechanical effects. To overcome this problem, we propose incorporation of highly electronegative cations (such as Ag) in the oxides. A fundamental interest is also the thermodynamic stability of the interfaces due to the possibility of atomic intermixing in the interface region. Therefore, different cation intermixed configurations are taken into account for the interfaces aiming at the energetically stable state. The effect of O vacancies is also discussed for both polar and non-polar heterostructures. The interface metallicity is enhanced for the polar system with the creation of O vacancies, while the clean interface at the non-polar heterostructure exhibits an insulating state and becomes metallic in presence of O vacancy. The O vacancy formation energies are calculated and explained in terms of the increasing electronegativity and effective volume of A the side cation. Along with these, the electronic and magnetic properties of an interface between the ferromagnetic metal CoS2 and the non-magnetic semiconductor FeS2 is investigated. We find that this contact shows a metallic character. The CoS2 stays quasi half metallic at the interface, while the FeS2 becomes metallic. At the interface, ferromagnetic ordering is found to be energetically favorable as compared to antiferromagnetic ordering. Furthermore, tensile strain is shown to strongly enhance the spin polarization so that a virtually half-metallic interface can be achieved, for comparably moderate strain. Our detailed study is aimed at complementing experiments on various oxide interfaces and obtaining a general picture how factors like cations, anions, their atomic weights and elecronegativities, O vacancies, lattice mismatch, lattice relaxation, magnetism etc play a combined role in device design.

abstract: In the upcoming decade, powerful new astronomical facilities such as the James Webb Space Telescope (JWST), the Square Kilometer Array (SKA), and ground-based 30-meter telescopes will open up the epoch of reionization to direct astronomical observation. One of the primary tools used to understand the bulk astrophysical properties of the high-redshift universe are empirically-derived star-forming laws, which relate observed luminosity to fundamental astrophysical quantities such as star formation rate. The radio/infrared relation is one of the more mysterious of these relations: despite its somewhat uncertain astrophysical origins, this relation is extremely tight and linear, with 0.3 dex of scatter over five orders of magnitude in galaxy luminosity. The effects of primordial metallicities on canonical star-forming laws is an open question: a growing body of evidence suggests that the current empirical star forming laws may not be valid in the unenriched, metal-poor environment of the very early universe. In the modern universe, nearby dwarf galaxies with less than 1/10th the Solar metal abundance provide an opportunity to recalibrate our star formation laws and study the astrophysics of extremely metal-deficient (XMD) environments in detail. I assemble a sample of nearby dwarf galaxies, all within 100 megaparsecs, with nebular oxygen abundances between 1/5th and 1/50th Solar. I identify the subsample of these galaxies with space-based mid- and far-infrared data, and investigate the effects of extreme metallicities on the infrared-radio relationship. For ten of these galaxies, I have acquired 40 hours of observations with the Jansky Very Large Array (JVLA). C-band (4-8 GHz) radio continuum emission is detected from all 10 of these galaxies. These represent the first radio continuum detections from seven galaxies in this sample: Leo A, UGC 4704, HS 0822+3542, SBS 0940+544, and SBS 1129+476. The radio continuum in these galaxies is strongly associated with the presence of optical H-alpha emission, with spectral slopes suggesting a mix of thermal and non-thermal sources. I use the ratio of the radio and far-infrared emission to investigate behavior of the C-band (4-8 GHz) radio/infrared relation at metallicities below 1/10th Solar. I compare the low metallicity sample with the 4.8 GHz radio/infrared relationship from the KINGFISHER nearby galaxy sample Tabatabaei et al. 2017 and to the 1.4 GHz radio/infrared relationship from the blue compact dwarf galaxy sample of Wu et al. 2008. The infrared/radio ratio q of the low metallicity galaxies is below the average q of star forming galaxies in the modern universe. I compare these galaxies' infrared and radio luminosities to their corresponding Halpha luminosities, and find that both the infrared/Halpha and the radio/H-alpha ratios are reduced by nearly 1 dex in the low metallicity sample vs. higher metallicity galaxies; however the deficit is not straightforwardly interpreted as a metallicity effect. / Dissertation/Thesis / Doctoral Dissertation Astrophysics 2019

This work sets out to be a description of the initiatives utilizing the Borexino liquid scintillator neutrino observatory to perform the first direct, high-precision, wideband solar neutrino spectroscopy measurement of the the solar neutrino spectrum's main components, as well as its next-generation short-baseline source program (SOX). Its original scope revolved around the creation of a O(MCi) ⁵¹Cr source to be inserted under the detector, intended to explore the small region of the anomaly-favored sin²θ₁₄/Δm₁₄² phase space where sterile neutrinos may lie -or otherwise unambiguously measure or disprove signs of anomalous oscillatory behavior in low L/E electron-neutrinos and antineutrinos. Investigating the feasibility and optimization of producing such a large amount of ⁵¹Cr for the source, by irradiating chromium material in a high-flux reactor, required extensive simulative work with the MCNP-5 neutronics code. With the switch of pace toward a ¹⁴Ce-¹⁴⁴Pr electron-antineutrino source, this work was re-oriented toward the efforts to re-calibrate the detector after the 2009-10 campaign, improving and expanding upon it by the introduction of new source fabrication techniques, a source positioning LED device, and a re-evaluation of the objectives sought after, fitting the needs of Borexino's Phase 2 priorities. Indeed, the detector's unprecedented and record-setting background levels are tightening its requirement for background stability. Aiming to reduce fluctuations in 210Po levels that remain problematic in Borexino's quest to lower the upper limit of the solar CNO neutrino flux (or even measure it), among other components, a new Temperature Monitoring and Management System was deployed and associated tools necessary to fully utilize it were developed as part of the present work. Computational Fluid Dynamics (CFD) simulations in 2D and 3D, conductive and fully convective, were also developed in collaboration with Dr Riccardo Mereu of Milan's Polytechnic Institute in order to model, characterize and ultimately predict the subtle fluid currents (around 10⁻⁷) m/s) that may be of concern for the required background stability. A brief discussion of the recent >5sigma measurement of geo-neutrinos by Borexino, a complementary part of the work for this thesis, is presented as well. / Ph. D.

No description available.

No description available.

Clusters are aggregates of a finite number of atoms or molecules. In the present work, free clusters out of metallic parent materials have been created and studied by synchrotron radiation-based photoelectron spectroscopy. The clusters have been formed and studied in a beam and the electronic structure of the clusters has been investigated. Conclusions have been drawn about the spatial distribution of atoms of different elements in bi-component clusters, about the development of metallicity in small clusters, and about the excitation of plasmons. Bi-component alloy clusters of sodium and potassium and of copper and silver have been produced. The site-sensitivity of the photoelectron spectroscopy technique has allowed us to probe the geometric distribution of the atoms of the constituent elements by comparing the responses from the bulk and surface of the clusters. In both cases, we have found evidence for a surface-segregated structure, with the element with the largest atoms and lowest cohesive energy (potassium and silver, correspondingly) dominating the surface and with a mixed bulk. Small clusters of tin and lead have been probed to investigate the development of metallicity. The difference in screening efficiency between metals and non-metals has been utilized to determine in what size range an aggregate of atoms of these metallic parent materials stops to be metallic. For tin this has been found to occur below ~40 atoms while for lead it happened somewhere below 20-30 atoms. The excitation of bulk and surface plasmons has been studied in clusters of sodium, potassium, magnesium and aluminium, with radii in the nanometer range. The excitation energies have been found to be close to those of the corresponding macroscopic solids. We have also observed spectral features corresponding to multi-quantum plasmon excitation in clusters of Na and K. Such features have in macroscopic solids been interpreted as due to harmonic plasmon excitation. Our observations of features corresponding to the excitation of one bulk and one surface plasmon however suggest the presence of sequential excitation in clusters.

Galactic formation models have long sought to reproduce the observed chemical and kinematical properties of the Milky Way's stellar halo and disk. Recently it is the so-called "intermediate population", the stellar thick disk, that is driving advances in our understanding of the formation of spiral galaxies. The thick disk is kinematically more like the thin disk than the halo, for all the thick disk has a velocity dispersion twice that of the thin disk and rotates ~40 km/s more slowly. It is generally accepted that the thick disk's metallicity distribution function peaks at a lower metallicity than the thin disk but at higher metallicity than the halo. The lower bound of the thick disk is still uncertain, as many observational studies have found only a few thick disk candidate stars or clusters that are more metal poor than (Fe/H)=1. Beers et al. (2002) have so far proposed the largest sample of metal poor thick disk candidates, presenting 9 stars at (Fe/H)= -1.2 or lower and 46 more stars at (Fe/H)= -1 or lower, all of which are believed to belong to the thick disk. Beers et al. (2002) present possible thick disk stars as metal poor as (Fe/H)~ -2.5, roughly 1 dex lower than is suggested by current Galactic formation models (Brook et al., 2005). This study is a high-resolution spectroscopic follow-up of 29 of the stars Beers et al. (2002) and Chiba & Beers (2000) identify as potential metal poor members of the thick disk and an additional 40 stars from the cannonical thick disk, halo, and thin disk. None of the very metal-poor stars identified by Beers et al. (2002) can be confirmed as members of the thick disk and many are not metal poor at all. Only two stars more metal poor than (Fe/H)= 1.2 retain their thick disk membership. These two stars exhibit some of the chemical characteristics of the cannonical thick disk: high α-element abundances and a relatively low s--/r-- process element ratio. Also of interest are six stars with thin disk kinematic signatures but thick disk α-element abundances. That only a small number of metal poor thick disk stars could be confirmed in this study indicates that the thick disk is neither as populous nor as metal poor as has been proposed by Beers et al. (2002). / text

RR Lyrae stars are old, iron-poor, Helium-burning variable stars. RR Lyraes are extremely useful for tracing phase-space structures and metallicities within the galaxy because they are easy to identify, have consistent luminosities, and are found in large numbers in the galactic disk, bulge, and halo. Here we present a new set of spectroscopic metallicity calibrations that use the equivalent widths of the Ca II K, Hγ, and Hδ lines to calculate metallicity values. Applied to spectroscopic survey data, these calibrations will help shed light on the evolution of the Milky Way and other galaxies.

Until recently, obtaining rest-frame optical spectra of galaxies at z > 1 was a time consuming and challenging observation due to the difficult nature of near-infrared (near-IR) spectroscopy. However, with the advent of second generation ground-based near-IR spectrographs (e.g. KMOS, MOSFIRE), and the new low resolution near-IR grisms on the Hubble Space Telescope (HST), we have entered a new era in the study of high redshift galaxies. This thesis explores the physical properties of star-forming galaxies in the redshift range 1 < z < 3 by utilising a custom reduction of the 3D-HST near-IR grism spectroscopic survey. One of the most important observational constraints on the evolution of galaxies is the mass-metallicity relation (MZR), which is sensitive to both the star-formation history and various inflow/outflow processes. I use the 3D-HST spectra to provide a new constraint on the MZR at 2:0 < z < 2:3, and moreover measure the O/H abundance directly from the oxygen and hydrogen emission lines ([OII], [OIII] and Hβ) as opposed to the more common method at high redshift of inferring O/H from the N/H ratio (via [NII] and Hα). I show that the traditional form of the MZR is recovered from the 3D-HST data, with metallicity increasing with the stellar mass of a galaxy. However, the absolute metallicity values I derive are inconsistent with previous N/H-based measurements of metallicity at these redshifts. Moreover, I show that the 3D-HST data is inconsistent with the `fundamental metallicity relation' (FMR), and that, contrary to previous claims, this local Universe relation may not hold out to z & 2. To investigate this metallicity discrepancy further, I measure the evolution of the [OIII]/Hβ nebular emission line ratio in the 3D-HST spectra over the redshift range 1:3 < z < 2:3. I compare this observed line ratio evolution with state-of-the- art theoretical models which take into account the independent evolution of the ionization parameter, electron density and metallicity of star-forming regions with redshift. The homogeneous 3D-HST dataset allows me to perform a consistent analysis of this evolution which takes into account line luminosity selection effects. I show that, according to models, the observed [OIII]/Hβ evolution cannot be accounted for by pure metallicity evolution. Instead I am able to infer that the line ratio evolution is more consistent with, at the very least, an evolution to stronger ionizing conditions at high redshift, and perhaps even denser star-forming regions. I explore how this result can also explain the observed discrepancy between high redshift metallicity measurements. In light of this finding, I revisit the MZR at z >~ 2 and employ a purely theoretical approach to inferring metallicities from nebular lines, which is able to account for an evolution in ionization conditions. I then use a selection of galaxies from the local Universe, which mimic the properties of high redshift galaxies, to derive a more robust ionization sensitive, conversion, between N/H and O/H. With this new conversion which I am able to bring the previous inconsistent metallicity measurements at z >~ 2 back into agreement. Finally, I am able to show that, in this new formalism, the metallicity evolution between z = 2 and z = 3 is perhaps not as large as previously reported. To conclude I discuss ongoing work as part of the KMOS Deep Survey (KDS) being undertaken with the near near-IR Multi-Object Spectrograph KMOS on the VLT. I describe the observations and data reduction that has been completed to date and describe how this instrument will allow me to extend the work presented in this thesis to z > 3. I also introduce FIGS, a new HST near-IR grism survey seeking to spectroscopically identify galaxies at 5:5 < z < 8:5 and work I have begun in exploring this dataset.

In situ Raman spectroscopy was used to explore etching of carbon nanotubes as well as their growth from C60. The thesis is in three parts: (1) C60 seed particles were partially oxidized in air and were used to grow carbon nanotubes and other nanocarbon structures. Seed oxidization was characterized by monitoring the evolution of the Raman Ag(2) peak and the D band, and oxidation temperature was found to be critical to nanotube growth. (2) To further explore oxidation, carbon nanotubes were thermally oxidized in air at different temperatures, while the evolution of different Raman bands was tracked. Etching dynamics and band intensity evolution were tracked in situ. Notably, metallic species were found to etch much more rapidly than semiconducting species of similar diameter. (3) To confirm and expand on this, a novel, simultaneous two-laser Raman spectroscopy setup was used to track the thermal oxidation of carbon nanotubes in O2 and CO2 gases at different temperatures. Metallic species were resonant with one laser line, while semiconducting species were resonant with the other, so changes to sample metallicity could be tracked unambiguously in two separate spectra. Again, metals were found to etch more rapidly. In situ Raman spectroscopy can track the evolution of nanotubes in real time and provide insight into processing. In general, detailed process monitoring like this can help in the development of selective synthesis and processing.