Unintentional F doping of the surface of SrTiO3(001) etched in HF acid -- structure and electronic properties

We show that the HF acid etch commonly used to prepare SrTiO3(001) for heteroepitaxial growth of complex oxides results in a non-negligible level of F doping within the terminal surface layer of TiO2. Using a combination of x-ray photoelectron spectroscopy and scanned angle x-ray photoelectron diffraction, we determine that on average ~13 % of the O anions in the surface layer are replaced by F, but that F does not occupy O sites in deeper layers. Despite this perturbation to the surface, the Fermi level remains unpinned, and the surface-state density, which determines the amount of band bending, is driven by factors other than F doping. The presence of F at the STO surface is expected to result in lower electron mobilities at complex oxide heterojunctions involving STO substrates because of impurity scattering. Unintentional F doping can be substantially reduced by replacing the HF-etch step with a boil in deionized water, which in conjunction with an oxygen tube furnace anneal, leaves the surface flat and TiO2 terminated.Comment: 18 pages, 7 figure

Instability, Intermixing and Electronic Structure at the Epitaxial LaAlO3/SrTiO3(001) Heterojunction

The question of stability against diffusional mixing at the prototypical LaAlO3/SrTiO3(001) interface is explored using a multi-faceted experimental and theoretical approach. We combine analytical methods with a range of sensitivities to elemental concentrations and spatial separations to investigate interfaces grown using on-axis pulsed laser deposition. We also employ computational modeling based on the density function theory as well as classical force fields to explore the energetic stability of a wide variety of intermixed atomic configurations relative to the idealized, atomically abrupt model. Statistical analysis of the calculated energies for the various configurations is used to elucidate the relative thermodynamic stability of intermixed and abrupt configurations. We find that on both experimental and theoretical fronts, the tendency toward intermixing is very strong. We have also measured and calculated key electronic properties such as the presence of electric fields and the value of the valence band discontinuity at the interface. We find no measurable electric field in either the LaAlO3 or SrTiO3, and that the valence band offset is near zero, partitioning the band discontinuity almost entirely to the conduction band edge. Moreover, we find that it is not possible to account for these electronic properties theoretically without including extensive intermixing in our physical model of the interface. The atomic configurations which give the greatest electrostatic stability are those that eliminate the interface dipole by intermixing, calling into question the conventional explanation for conductivity at this interface - electronic reconstruction. Rather, evidence is presented for La indiffusion and doping of the SrTiO3 below the interface as being the cause of the observed conductivity

Non-linear instability of Kerr-type Cauchy horizons

Using the general solution to the Einstein equations on intersecting null surfaces developed by Hayward, we investigate the non-linear instability of the Cauchy horizon inside a realistic black hole. Making a minimal assumption about the free gravitational data allows us to solve the field equations along a null surface crossing the Cauchy Horizon. As in the spherical case, the results indicate that a diverging influx of gravitational energy, in concert with an outflux across the CH, is responsible for the singularity. The spacetime is asymptotically Petrov type N, the same algebraic type as a gravitational shock wave. Implications for the continuation of spacetime through the singularity are briefly discussed.Comment: 11 pages RevTeX, two postscript figures included using epsf.st

The use of incidence counts for estimation of cereal aphid populations. 3. Population development and the incidence-density relation.

Om in de praktijk gebruik te kunnen maken van incidentie (de fractie bezette halmen) voor het schatten van graanluispopulaties moet dezelfde relatie tussen dichtheid en incidentie tijdens het hele groeiseizoen gelden. Uit analyses van veldgegevens voor de graanluis Sitobion avenae blijkt dat wel het geval te zijn, zodat bepalingen van incidentie kunnen worden gebruikt om de populatiedichtheid betrouwbaar te schatte

Electronic structures of doped anatase TiO2\rm TiO_{2}: Ti1−xMxO2\rm Ti_{1-x}M_{x}O_{2} (M=Co, Mn, Fe, Ni)

We have investigated electronic structures of a room temperature diluted magnetic semiconductor : Co-doped anatase $\rm TiO_{2}$. We have obtained the half-metallic ground state in the local-spin-density approximation(LSDA) but the insulating ground state in the LSDA+$U$+SO incorporating the spin-orbit interaction. In the stoichiometric case, the low spin state of Co is realized with the substantially large orbital moment. However, in the presence of oxygen vacancies near Co, the spin state of Co becomes intermediate. The ferromagnetisms in the metallic and insulating phases are accounted for by the double-exchange-like and the superexchange mechanism, respectively. Further, the magnetic ground states are obtained for Mn and Fe doped $\rm TiO_{2}$, while the paramagnetic ground state for Ni-doped $\rm TiO_{2}$.Comment: 5 pages, 4 figure

Magnetic fields in protoplanetary disks

Magnetic fields likely play a key role in the dynamics and evolution of protoplanetary discs. They have the potential to efficiently transport angular momentum by MHD turbulence or via the magnetocentrifugal acceleration of outflows from the disk surface, and magnetically-driven mixing has implications for disk chemistry and evolution of the grain population. However, the weak ionisation of protoplanetary discs means that magnetic fields may not be able to effectively couple to the matter. I present calculations of the ionisation equilibrium and magnetic diffusivity as a function of height from the disk midplane at radii of 1 and 5 AU. Dust grains tend to suppress magnetic coupling by soaking up electrons and ions from the gas phase and reducing the conductivity of the gas by many orders of magnitude. However, once grains have grown to a few microns in size their effect starts to wane and magnetic fields can begin to couple to the gas even at the disk midplane. Because ions are generally decoupled from the magnetic field by neutral collisions while electrons are not, the Hall effect tends to dominate the diffusion of the magnetic field when it is able to partially couple to the gas. For a standard population of 0.1 micron grains the active surface layers have a combined column of about 2 g/cm^2 at 1 AU; by the time grains have aggregated to 3 microns the active surface density is 80 g/cm^2. In the absence of grains, x-rays maintain magnetic coupling to 10% of the disk material at 1 AU (150 g/cm^2). At 5 AU the entire disk thickness becomes active once grains have aggregated to 1 micron in size.Comment: 11 pages, 11 figs, aastex.cls. Accepted for publication in Astrophysics & Space Science. v3 corrects bibliograph

Optical band edge shift of anatase cobalt-doped titanium dioxide

We report on the optical properties of magnetic cobalt-doped anatase phase titanium dioxide Ti_{1-x}Co_{x}O_{2-d} films for low doping concentrations, 0 <= x <= 0.02, in the spectral range 0.2 to 5 eV. For well oxygenated films (d << 1) the optical conductivity is characterized by an absence of optical absorption below an onset of interband transitions at 3.6 eV and a blue shift of the optical band edge with increasing Co concentration. The absence of below band gap absorption is inconsistent with theoretical models which contain midgap magnetic impurity bands and suggests that strong on-site Coulomb interactions shift the O-band to Co-level optical transitions to energies above the gap.Comment: 5 pages, 4 figures, 1 table; Version 2 - major content revisio

Nanosized superparamagnetic precipitates in cobalt-doped ZnO

The existence of semiconductors exhibiting long-range ferromagnetic ordering at room temperature still is controversial. One particularly important issue is the presence of secondary magnetic phases such as clusters, segregations, etc... These are often tedious to detect, leading to contradictory interpretations. We show that in our cobalt doped ZnO films grown homoepitaxially on single crystalline ZnO substrates the magnetism unambiguously stems from metallic cobalt nano-inclusions. The magnetic behavior was investigated by SQUID magnetometry, x-ray magnetic circular dichroism, and AC susceptibility measurements. The results were correlated to a detailed microstructural analysis based on high resolution x-ray diffraction, transmission electron microscopy, and electron-spectroscopic imaging. No evidence for carrier mediated ferromagnetic exchange between diluted cobalt moments was found. In contrast, the combined data provide clear evidence that the observed room temperature ferromagnetic-like behavior originates from nanometer sized superparamagnetic metallic cobalt precipitates.Comment: 20 pages, 6 figures; details about background subtraction added to section III. (XMCD

Photoelectron diffraction: from phenomenological demonstration to practical tool

The potential of photoelectron diffraction—exploiting the coherent interference of directly-emitted and elastically scattered components of the photoelectron wavefield emitted from a core level of a surface atom to obtain structural information—was first appreciated in the 1970s. The first demonstrations of the effect were published towards the end of that decade, but the method has now entered the mainstream armoury of surface structure determination. This short review has two objectives: First, to outline the way that the idea emerged and the way this evolved in my own collaboration with Neville Smith and his colleagues at Bell Labs in the early years: Second, to provide some insight into the current state-of-the art in application of (scanned-energy mode) photoelectron diffraction to address two key issue in quantitative surface structure determination, namely, complexity and precision. In this regard a particularly powerful aspect of photoelectron diffraction is its elemental and chemical-state specificity

First-principles study of nucleation, growth, and interface structure of Fe/GaAs

We use density-functional theory to describe the initial stages of Fe film growth on GaAs(001), focusing on the interplay between chemistry and magnetism at the interface. Four features appear to be generic: (1) At submonolayer coverages, a strong chemical interaction between Fe and substrate atoms leads to substitutional adsorption and intermixing. (2) For films of several monolayers and more, atomically abrupt interfaces are energetically favored. (3) For Fe films over a range of thicknesses, both Ga- and As-adlayers dramatically reduce the formation energies of the films, suggesting a surfactant-like action. (4) During the first few monolayers of growth, Ga or As atoms are likely to be liberated from the interface and diffuse to the Fe film surface. Magnetism plays an important auxiliary role for these processes, even in the dilute limit of atomic adsorption. Most of the films exhibit ferromagnetic order even at half-monolayer coverage, while certain adlayer-capped films show a slight preference for antiferromagnetic order.Comment: 11 two-column pages, 12 figures, to appear in Phys. Rev.