Ferromagnetic Film on a Superconducting Substrate

We study the equilibrium domain structure and magnetic flux around a ferromagnetic (FM) film with perpendicular magnetization M_0 on a superconducting (SC) substrate. At 4{\pi}M_0<H_{c1} the SC is in the Meissner state and the equilibrium domain width in the film, l, scales as (l/4{\pi}{\lambda}_{L}) = (l_{N}/4{\pi}{\lambda}_{L})^{2/3} with the domain width on a normal (non-superconducting) substrate, l_{N}/4\pi\lambda_L >> 1. Here \lambda_L is the London penetration length. For 4{\pi}M_0 > H_{c1} and l_{N} in excess of about 35 {\lambda}_{L}, the domains are connected by SC vortices. We argue that pinning of vortices by magnetic domains in FM/SC multilayers can provide high critical currents.Comment: 4 pages, 2 figures, submitted to PR

Dissociation of O2 at Al(111): The Role of Spin Selection Rules

A most basic and puzzling enigma in surface science is the description of the dissociative adsorption of O2 at the (111) surface of Al. Already for the sticking curve alone, the disagreement between experiment and results of state-of-the-art first-principles calculations can hardly be more dramatic. In this paper we show that this is caused by hitherto unaccounted spin selection rules, which give rise to a highly non-adiabatic behavior in the O2/Al(111) interaction. We also discuss problems caused by the insufficient accuracy of present-day exchange-correlation functionals.Comment: 4 pages including 3 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.htm

Thermal conductivity in PbTe from first principles

We investigate the harmonic and anharmonic contributions to the phonon spectrum of lead telluride and perform a complete characterization of how thermal properties of PbTe evolve as temperature increases. We analyze the thermal resistivity's variation with temperature and clarify misconceptions about existing experimental literature. The resistivity initially increases sublinearly because of phase space effects and ultra strong anharmonic renormalizations of specific bands. This effect is the strongest factor in the favorable thermoelectric properties of PbTe, and it explains its limitations at higher T . This quantitative prediction opens the prospect of phonon phase space engineering to tailor the lifetimes of crucial heat carrying phonons by considering different structure or nanostructure geometries. We analyze the available scattering volume between TO and LA phonons as a function of temperature and correlate its changes to features in the thermal conductivity

Processing and Transmission of Information

Contains reports on five research projects.National Aeronautics and Space Administration (Grant NGL 22-009-013)National Science Foundation (Grant GK-5800

Non-adiabatic Effects in the Dissociation of Oxygen Molecules at the Al(111) Surface

The measured low initial sticking probability of oxygen molecules at the Al(111) surface that had puzzled the field for many years was recently explained in a non-adiabatic picture invoking spin-selection rules [J. Behler et al., Phys. Rev. Lett. 94, 036104 (2005)]. These selection rules tend to conserve the initial spin-triplet character of the free O2 molecule during the molecule's approach to the surface. A new locally-constrained density-functional theory approach gave access to the corresponding potential-energy surface (PES) seen by such an impinging spin-triplet molecule and indicated barriers to dissociation which reduce the sticking probability. Here, we further substantiate this non-adiabatic picture by providing a detailed account of the employed approach. Building on the previous work, we focus in particular on inaccuracies in present-day exchange-correlation functionals. Our analysis shows that small quantitative differences in the spin-triplet constrained PES obtained with different gradient-corrected functionals have a noticeable effect on the lowest kinetic energy part of the resulting sticking curve.Comment: 17 pages including 11 figures; related publications can be found at http://www.fhi-berlin.mpg.de/th/th.htm

Irreversible magnetization in thin YBCO films rotated in external magnetic field

The magnetization M of a thin YBaCuO film is measured as a function of the angle $\theta$ between the applied field H and the c-axis. For fields above the first critical field, but below the Bean's field for first penetration H*, M is symmetric with respect to $\theta =\pi$ and the magnetization curves for forward and backward rotation coincide. For H>H* the curves are asymmetric and they do not coincide. These phenomena have a simple explanation in the framework of the Bean critical state model.Comment: 14 pages, 7 PostScript figure

Reflection thermal diffuse x-ray scattering for quantitative determination of phonon dispersion relations

Synchrotron reflection x-ray thermal diffuse scattering (TDS) measurements, rather than previously reported transmission TDS, are carried out at room temperature and analyzed using a formalism based upon second-order interatomic force constants and long-range Coulomb interactions to obtain quantitative determinations of MgO phonon dispersion relations ℏω_j(q), phonon densities of states g(ℏω), and isochoric temperature-dependent vibrational heat capacities c_v(T). We use MgO as a model system for investigating reflection TDS due to its harmonic behavior as well as its mechanical and dynamic stability. Resulting phonon dispersion relations and densities of states are found to be in good agreement with independent reports from inelastic neutron and x-ray scattering experiments. Temperature-dependent isochoric heat capacities c_v(T), computed within the harmonic approximation from ℏω_j(q) values, increase with temperature from 0.4 × 10^(−4) eV/atom K at 100 K to 1.4 × 10^(−4) eV/atom K at 200 K and 1.9 × 10^(−4) eV/atom K at 300 K, in excellent agreement with isobaric heat capacity values c_p(T) between 4 and 300 K. We anticipate that the experimental approach developed here will be valuable for determining vibrational properties of heteroepitaxial thin films since the use of grazing-incidence (θ≲θ_c, where θ_c is the density-dependent critical angle) allows selective tuning of x-ray penetration depths to ≲10nm

Pulsatility of insulin release – a clinically important phenomenon

The mechanisms and clinical importance of pulsatile insulin release are presented against the background of more than half a century of companionship with the islets of Langerhans. The insulin-secreting β-cells are oscillators with intrinsic variations of cytoplasmic ATP and Ca2+. Within the islets the β-cells are mutually entrained into a common rhythm by gap junctions and diffusible factors (ATP). Synchronization of the different islets in the pancreas is supposed to be due to adjustment of the oscillations to the same phase by neural output of acetylcholine and ATP. Studies of hormone secretion from the perfused pancreas of rats and mice revealed that glucose induces pulses of glucagon anti-synchronous with pulses of insulin and somatostatin. The anti-synchrony may result from a paracrine action of somatostatin on the glucagon-producing α-cells. Purinoceptors have a key function for pulsatile release of islet hormones. It was possible to remove the glucagon and somatostatin pulses with maintenance of those of insulin with an inhibitor of the P2Y1 receptors. Knock-out of the adenosine A1 receptor prolonged the pulses of glucagon and somatostatin without affecting the duration of the insulin pulses. Studies of isolated human islets indicate similar relations between pulses of insulin, glucagon, and somatostatin as found during perfusion of the rodent pancreas. The observation of reversed cycles of insulin and glucagon adds to the understanding how the islets regulate hepatic glucose production. Current protocols for pulsatile intravenous infusion therapy (PIVIT) should be modified to mimic the anti-synchrony between insulin and glucagon normally seen in the portal blood

Extensive sequence-influenced DNA methylation polymorphism in the human genome

Background: Epigenetic polymorphisms are a potential source of human diversity, but their frequency and relationship to genetic polymorphisms are unclear. DNA methylation, an epigenetic mark that is a covalent modification of the DNA itself, plays an important role in the regulation of gene expression. Most studies of DNA methylation in mammalian cells have focused on CpG methylation present in CpG islands (areas of concentrated CpGs often found near promoters), but there are also interesting patterns of CpG methylation found outside of CpG islands. Results: We compared DNA methylation patterns on both alleles between many pairs (and larger groups) of related and unrelated individuals. Direct observation and simulation experiments revealed that around 10% of common single nucleotide polymorphisms (SNPs) reside in regions with differences in the propensity for local DNA methylation between the two alleles. We further showed that for the most common form of SNP, a polymorphism at a CpG dinucleotide, the presence of the CpG at the SNP positively affected local DNA methylation in cis. Conclusions: Taken together with the known effect of DNA methylation on mutation rate, our results suggest an interesting interdependence between genetics and epigenetics underlying diversity in the human genome