Simulation and analysis of solenoidal ion sources

We present a detailed analysis and simulation of solenoidal, magnetically confined electron bombardment ion sources, aimed at molecular beam detection. The aim is to achieve high efficiency for singly ionized species while minimizing multiple ionization. Electron space charge plays a major role and we apply combined ray tracing and finite element simulations to determine the properties of a realistic geometry. The factors controlling electron injection and ion extraction are discussed. The results from simulations are benchmarked against experimental measurements on a prototype source

Determining the Anisotropic Exchange Coupling of CrO_2 via First-Principles Density Functional Theory Calculations

We report a study of the anisotropic exchange interactions in bulk CrO_2 calculated from first principles within density functional theory. We determine the exchange coupling energies, using both the experimental lattice parameters and those obtained within DFT, within a modified Heisenberg model Hamiltonian in two ways. We employ a supercell method in which certain spins within a cell are rotated and the energy dependence is calculated and a spin-spiral method that modifies the periodic boundary conditions of the problem to allow for an overall rotation of the spins between unit cells. Using the results from each of these methods, we calculate the spin-wave stiffness constant D from the exchange energies using the magnon dispersion relation. We employ a Monte Carlo method to determine the DFT-predicted Curie temperature from these calculated energies and compare with accepted values. Finally, we offer an evaluation of the accuracy of the DFT-based methods and suggest implications of the competing ferro- and antiferromagnetic interactions.Comment: 10 pages, 13 figure

Texture, twinning and metastable "tetragonal" phase in ultrathin films of HfO₂ on a Si substrate

Thin HfO<sub>2</sub> films grown on the lightly oxidised surface of (100) Si wafers have been examined using dark-field transmission electron microscopy and selected area electron diffraction in plan view. The polycrystalline film has a grain size of the order of 100 nm and many of the grains show evidence of twinning on (110) and (001) planes. Diffraction studies showed that the film had a strong [110] out-of-plane texture, and that a tiny volume fraction of a metastable (possibly tetragonal) phase was retained. The reasons for the texture, twinning and the retention of the metastable phase are discussed

Medium range structural order in amorphous tantala spatially resolved with changes to atomic structure by thermal annealing

Amorphous tantala (a-Ta2O5) is an important technological material that has wide ranging applications in electronics, optics and the biomedical industry. It is used as the high refractive index layers in the multi-layer dielectric mirror coatings in the latest generation of gravitational wave interferometers, as well as other precision interferometers. One of the current limitations in sensitivity of gravitational wave detectors is Brownian thermal noise that arises from the tantala mirror coatings. Measurements have shown differences in mechanical loss of the mirror coatings, which is directly related to Brownian thermal noise, in response to thermal annealing. We utilise scanning electron diffraction to perform Fluctuation Electron Microscopy (FEM) on Ion Beam Sputtered (IBS) amorphous tantala coatings, definitively showing an increase in the medium range order (MRO), as determined from the variance between the diffraction patterns in the scan, due to thermal annealing at increasing temperatures. Moreover, we employ Virtual Dark-Field Imaging (VDFi) to spatially resolve the FEM signal, enabling investigation of the persistence of the fragments responsible for the medium range order, as well as the extent of the ordering over nm length scales, and show ordered patches larger than 5 nm in the highest temperature annealed sample. These structural changes directly correlate with the observed changes in mechanical loss.Comment: 22 pages, 5 figure

Synthesis of H_xLi_1-xLaTiO₄ from quantitative solid-state reactions at room temperature

The layered perovskite HLaTiO4 reacts stoichiometrically with LiOH·H2O at room temperature to give targeted compositions in the series HxLi1-xLaTiO4. Remarkably, the Li+ and H+ ions are quantitatively exchanged in the solid state and this allows stoichiometric control of ion exchange for the first time in this important series of compounds

Epitaxial Co2Cr0.6Fe0.4Al thin films and magnetic tunneling junctions

Epitaxial thin films of the theoretically predicted half metal Co2Cr0.6Fe0.4Al were deposited by dc magnetron sputtering on different substrates and buffer layers. The samples were characterized by x-ray and electron beam diffraction (RHEED) demonstrating the B2 order of the Heusler compound with only a small partition of disorder on the Co sites. Magnetic tunneling junctions with Co2Cr0.6Fe0.4Al electrode, AlOx barrier and Co counter electrode were prepared. From the Julliere model a spin polarisation of Co2Cr0.6Fe0.4Al of 54% at T=4K is deduced. The relation between the annealing temperature of the Heusler electrodes and the magnitude of the tunneling magnetoresistance effect was investigated and the results are discussed in the framework of morphology and surface order based of in situ STM and RHEED investigations.Comment: accepted by J. Phys. D: Appl. Phy

Influence of s-d interfacial scattering on the magnetoresistance of magnetic tunnel junctions

We propose the two-band s-d model to describe theoretically a diffuse regime of the spin-dependent electron transport in magnetic tunnel junctions (MTJ's) of the form F/O/F where F's are 3d transition metal ferromagnetic layers and O is the insulating spacer. We aim to explain the strong interface sensitivity of the tunneling properties of MTJ's and investigate the influence of electron scattering at the nonideal interfaces on the degradation of the TMR magnitude. The generalized Kubo formalism and the Green's functions method were used to calculate the conductance of the system. The vertex corrections to the conductivity were found with the use of "ladder" approximation combined with the coherent-potential approximation (CPA) that allowed to consider the case of strong electron scattering. It is shown that the Ward identity is satisfied in the framework of this approximation that provides the necessary condition for a conservation of a tunneling current. Based on the known results of ab-initio calculations of the TMR for ballistic junctions, we assume that exchange split quasi-free s-like electrons with the density of states being greater for the majority spin sub-band give the main contribution to the TMR effect. We show that, due to interfacial inter-band scattering, the TMR can be substantially reduced even down to zero value. This is related to the fact that delocalized quasi-free electrons can scatter into the strongly localized d sub-band with the density of states at the Fermi energy being larger for minority spins compared to majority spins. It is also shown that spin-flip electron scattering on the surface magnons within the interface leads to a further decrease of the TMR at finite temperature.Comment: REVTeX4, 20 pages, 9 figures, 1 table, submitted to Phys.Rev.B; In Version 2 the text is substantially improved, the main results and conclusions left the sam

Linewidths in bound state resonances for helium scattering from Si(111)-(1x1)H

Helium-3 spin-echo measurements of resonant scattering from the Si(111)–(1 × 1)H surface, in the energy range 4–14 meV, are presented. The measurements have high energy resolution yet they reveal bound state resonance features with uniformly broad linewidths. We show that exact quantum mechanical calculations of the elastic scattering, using the existing potential for the helium/Si(111)–(1 × 1)H interaction, cannot reproduce the linewidths seen in the experiment. Further calculations rule out inelastic and other mechanisms that might give rise to losses from the elastic scattering channels. We show that corrugation in the attractive part of the atom–surface potential is the most likely origin of the experimental lineshapes

Quantifying farm sustainability through the lens of ecological theory

The achievements of the Green Revolution in meeting the nutritional needs of a growing global population have been won at the expense of unintended consequences for the environment. Some of these negative impacts are now threatening the sustainability of food production through the loss of pollinators and natural enemies of crop pests, the evolution of pesticide resistance, declining soil health and vulnerability to climate change. In the search for farming systems that are sustainable both agronomically and environmentally, alternative approaches have been proposed variously called ‘agroecological’, ‘conservation agriculture’, ‘regenerative’ and ‘sustainable intensification’. While the widespread recognition of the need for more sustainable farming is to be welcomed, this has created etymological confusion that has the potential to become a barrier to transformation. There is a need, therefore, for objective criteria to evaluate alternative farming systems and to quantify farm sustainability against multiple outcomes. To help meet this challenge, we reviewed the ecological theories that explain variance in regulating and supporting ecosystem services delivered by biological communities in farmland to identify guiding principles for management change. For each theory, we identified associated system metrics that could be used as proxies for agroecosystem function. We identified five principles derived from ecological theory: (i) provide key habitats for ecosystem service providers; (ii) increase crop and non-crop habitat diversity; (iii) increase edge density: (iv) increase nutrient-use efficiency; and (v) avoid extremes of disturbance. By making published knowledge the foundation of the choice of associated metrics, our aim was to establish a broad consensus for their use in sustainability assessment frameworks. Further analysis of their association with farm-scale data on biological communities and/or ecosystem service delivery would provide additional validation for their selection and support for the underpinning theories

Observation of band structure and density of states effects in Co-based magnetic tunnel junctions

Utilizing Co/Al$_2$O$_3$/Co magnetic tunnel junctions (MTJs) with Co electrodes of different crystalline phases, a clear relationship between electrode structure and junction transport properties is presented. For junctions with one fcc(111) textured and one polycrystalline (poly-phase and poly-directional) Co electrode, a strong asymmetry is observed in the magnetotransport properties, while when both electrodes are polycrystalline the magnetotransport is essentially symmetric. These observations are successfully explained within a model based on ballistic tunneling between the calculated band structures (DOS) of fcc-Co and hcp-Co.Comment: 4 pages, 3 figures, submitted to Phys. Rev. Let