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Speeding up tight binding calculations using zone-folding methods

Tight binding models are widely used in large scale electronic structure calculations of nanostructures. Their atomistic nature makes them flexible, but also means the computational cost increases rapidly with system size. The large number of calculations required to design nanostructures makes computational efficiency desirable. We have developed a method to increase computational speed while ret

Minority report : Structure and bonding of YbNi3Ga9 and YbCu3Ga8 obtained in gallium flux

The gallides YbNi3Ga9 and YbCu3Ga8 were obtained from flux growth reactions of Yb, various transition metals M, and Ga, to test a stability diagram that predicts the formation of ternary intermetallic phases. The structure of YbNi3Ga9 was redetermined to resolve discrepancies in the literature. For an untwinned crystal of YbNi3Ga9, the ErNi3Al9-type structure was confirmed (space group R32, a ​= ​

Predicting the Onset of Opioid Use Disorder in the Swedish General Population

Objective: Given the public health importance of opioid use disorder (OUD), we sought to understand better its risk predictors in the Swedish general population. Method: We examined the Swedish population, born 1950–1970 (n = 2,092,359), and followed through 2018. Using Cox, logistic, and co-sibling models, we explored associations between a wide range of putative risk factors and a first onset of

Development and characterization of photovoltaic tandem-junction nanowires using electron-beam-induced current measurements

Nanowires have many interesting properties that are of advantage for solar cells, such as the epitaxial combination of lattice-mismatched materials without plastic deformation. This could be utilized for the synthesis of axial tandem-junction nanowire solar cells with high efficiency at low material cost. Electron-beam-induced current measurements have been used to optimize the performance of sing

Circulating Biomarkers in Lower Extremity Artery Disease

Lower extremity artery disease (LEAD), a chronic condition with disturbed lower extremity circulation due to narrowing of the arteries, is predominantly caused by atherosclerosis and is associated with the presence of cardiovascular risk factors and an increased risk of cardiovascular events. LEAD is prevalent among older individuals and predicted to rise with the ageing population. In progressive

A distinctive profile of family genetic risk scores in a Swedish national sample of cases of fibromyalgia, irritable bowel syndrome, and chronic fatigue syndrome compared to rheumatoid arthritis and major depression

Background Functional somatic disorders (FSD) feature medical symptoms of unclear etiology. Attempts to clarify their origin have been hampered by a lack of rigorous research designs. We sought to clarify the etiology of the FSD by examining the genetic risk patterns for FSD and other related disorders. Methods This study was performed in 5 829 186 individuals from Swedish national registers. We q

High turnover photocatalytic hydrogen formation with an Fe(iii) N-heterocyclic carbene photosensitiser

Herein we report the first high turnover photocatalytic hydrogen formation reaction based on an earth-abundant FeIII-NHC photosensitiser. The reaction occurs via reductive quenching of the 2LMCT excited state that can be directly excited with green light and employs either Pt-colloids or [Co(dmgH)2pyCl] as proton reduction catalysts and [HNEt3][BF4] and triethanolamine/triethylamine as proton and

How older adults relate to their own voices : a qualitative study of subjective experiences of the aging voice

Aim: The aim of this study was to investigate how otherwise healthy older adults with self-assessed voice problems relate to their voice and voice changes. Method: Focus groups were conducted at an activity center to identify how older adults reflect on their own voice and the aging voice in general. The interviews were audio recorded and transcribed. The analysis was done using thematic content a

Order and disorder in the modulated phase hp-Mg9Ge5.1

Single crystals of Mg9Ge5.1(2) were obtained at a pressure of 5 GPa in the temperature range 723 to 1273 K. The metastable high-pressure phase exhibits a crystal structure, which may be described as a host-guest variety of an UCl3-type framework. The atomic arrangement is characterized by a host crystal structure Mg9Ge3 with disordered germanium guests (≈2 Ge per formula unit) in the channels. The

Smog Chamber Experiments of SOA Formation from Gasoline Exhaust and Light Aromatics

Experiments where gasoline exhaust was exposed to UV-radiation to examine Secondary Organic Aerosol (SOA) formation were performed in a smog chamber. The Aerosol Mass Yield (formed SOA/reacted precursor mass) was determined and compared with the yield from a pure precursor experiment in the chamber and from results reported in literature. Preliminary results show that the majority of the organic a

Growth of Semiconductor Nanowires for Solar Cell Applications

Nanowires have the ability to absorb light much more efficient than conventional thin film layers. This makes them candidates for the development of new types of solar cells that have higher efficiency and lower material usage than current technologies. In this thesis fabrication of nanowires with techniques suitable for large area applications are investigated. The nanowires are grown by either M

Charge Transport in Semiconductor Nanowire Quantum Devices: From Single Quantum Dots to Topological Superconductors

This thesis focuses on charge transport in semiconductor InSb nanowire quantum devices, including the electron transport, the hole transport, and the Cooper pair transport. Devices in which InSb semiconductor nanowire quantum dots are coupled with normal metals, superconductors or the proximity effect induced topological superconductors are fabricated and measured. Firstly, we have fabricated and

Interface composition of atomic layer deposited HfO2 and Al2O3 thin films on InAs studied by X-ray photoemission spectroscopy

We present a synchrotron-based XPS investigation on the interface between InAs and Al2O3 or HfO2 layers, deposited by ALD at different temperatures, for InAs substrates with different surface orientations as well as for InAs nanowires. We reveal the composition of the native Oxide and how the high-k layer deposition reduces Oxide components. We demonstrate some of the advantages in using synchrotr

Optical Imaging for Nanowire Mechanics

In this work, we present a stroboscopic detection technique for the study of oscillating nanoscale objects. This optical read-out gives a position accuracy better than 1 nm which is a fraction of both the diffraction limit and the pixel size. The advantage of this stroboscopic method compared to conventional time-averaging techniques, is the time-resolution it provides as well as being non-invasiv