Influence of static Jahn-Teller distortion on the magnetic excitation spectrum of PrO2: A synchrotron x-ray and neutron inelastic scattering study

A synchrotron x-ray diffraction study of the crystallographic structure of PrO2 in the Jahn-Teller distorted phase is reported. The distortion of the oxygen sublattice, which was previously ambiguous, is shown to be a chiral structure in which neighbouring oxygen chains have opposite chiralities. A temperature dependent study of the magnetic excitation spectrum, probed by neutron inelastic scattering, is also reported. Changes in the energies and relative intensities of the crystal field transitions provide an insight into the interplay between the static and dynamic Jahn-Teller effects.Comment: 7 pages, 6 figure

Disentangling multipole resonances through a full x-ray polarization analysis

Complete polarization analysis applied to resonant x-ray scattering at the Cr K-edge in K2CrO4 shows that incident linearly polarized x-rays can be converted into circularly polarized x-rays by diffraction at the Cr pre-edge (E = 5994 eV). The physical mechanism behind this phenomenon is a subtle interference effect between purely dipole (E1-E1) and purely quadrupole (E2-E2) transitions, leading to a phase shift between the respective scattering amplitudes. This effect may be exploited to disentangle two close-lying resonances that appear as a single peak in a conventional energy scan, in this way allowing to single out and identify the different multipole order parameters involved.Comment: 6 pages, 6 figure

Lockin to Weak Ferromagnetism in TbNi2B2C and ErNi2B2C

This article describes a model in which ferromagnetism necessarily accompanies a spin-density-wave lockin transition in the borocarbide structure provided the commensurate phase wave vector satisfies Q = (m/n)a* with m even and n odd. The results account for the magnetic properties of TbNi2B2C, and are also possibly relevant also for those of ErNi2B2C.Comment: 4 page

Multi-k magnetic structures in USb_{0.9}Te_{0.1} and UAs_{0.8}Se_{0.2} observed via resonant x-ray scattering at the U M4 edge

Experiments with resonant photons at the U M4 edge have been performed on a sample of USb_{0.9}Te_{0.1}, which has an incommensurate magnetic structure with k = 0.596(2) reciprocal lattice units. The reflections of the form , as observed previously in a commensurate k = 1/2 system [N. Bernhoeft et al., Phys. Rev. B 69 174415 (2004)] are observed, removing any doubt that these occur because of multiple scattering or high-order contamination of the incident photon beam. They are clearly connected with the presence of a 3k configuration. Measurements of the reflections from the sample UAs_{0.8}Se_{0.2} in a magnetic field show that the transition at T* ~ 50 K is between a low-temperature 2k and high-temperature 3k state and that this transition is sensitive to an applied magnetic field. These experiments stress the need for quantitative theory to explain the intensities of these reflections.Comment: submitted to Phys. Rev.

The structure of the Au(111)/methylthiolate interface : new insights from near-edge X-ray absorption spectroscopy and X-ray standing waves

The local structure of the Au(111)([square root of]3×[square root of]3)R30°-methylthiolate surface phase has been investigated by S K-edge near-edge s-ray absorption fine structure (NEXAFS) both experimentally and theoretically and by experimental normal-incidence x-ray standing waves (NIXSW) at both the C and S atomic sites. NEXAFS shows not only excitation into the intramolecular sigma* S–C resonance but also into a sigma* S–Au orbital perpendicular to the surface, clearly identifying the local S headgroup site as atop a Au atom. Simulations show that it is not possible, however, to distinguish between the two possible adatom reconstruction models; a single thiolate species atop a hollow-site Au adatom or a dithiolate moiety comprising two thiolate species bonded to a bridge-bonded Au adatom. Within this dithiolate moiety a second sigma* S–Au orbital that lies near parallel to the surface has a higher energy that overlaps that of the sigma* S–C resonance. The new NIXSW data show the S–C bond to be tilted by 61° relative to the surface normal, with a preferred azimuthal orientation in , corresponding to the intermolecular nearest-neighbor directions. This azimuthal orientation is consistent with the thiolate being atop a hollow-site Au adatom, but not consistent with the originally proposed Au-adatom-dithiolate moiety. However, internal conformational changes within this species could, perhaps, render this model also consistent with the experimental data

Small-Angle Neutron Scattering and Magnetization Study of HoNi2B2C

The superconducting and magnetic properties of HoNi2B2C single crystals are investigated through transport, magnetometry and small-angle neutron scattering measurements. In the magnetic phases that enter below the superconducting critical temperature, the small-angle neutron scattering data uncover networks of magnetic surfaces. These likely originate from uncompensated moments e.g. at domain walls pinned to crystallographic grain boundaries. The field and temperature dependent behaviour appears consistent with the metamagnetic transitions reported in earlier works.Comment: 11 pages , 4 figures, submitted to Low Temperature Physic

Predicate Abstraction for Linked Data Structures

We present Alias Refinement Types (ART), a new approach to the verification of correctness properties of linked data structures. While there are many techniques for checking that a heap-manipulating program adheres to its specification, they often require that the programmer annotate the behavior of each procedure, for example, in the form of loop invariants and pre- and post-conditions. Predicate abstraction would be an attractive abstract domain for performing invariant inference, existing techniques are not able to reason about the heap with enough precision to verify functional properties of data structure manipulating programs. In this paper, we propose a technique that lifts predicate abstraction to the heap by factoring the analysis of data structures into two orthogonal components: (1) Alias Types, which reason about the physical shape of heap structures, and (2) Refinement Types, which use simple predicates from an SMT decidable theory to capture the logical or semantic properties of the structures. We prove ART sound by translating types into separation logic assertions, thus translating typing derivations in ART into separation logic proofs. We evaluate ART by implementing a tool that performs type inference for an imperative language, and empirically show, using a suite of data-structure benchmarks, that ART requires only 21% of the annotations needed by other state-of-the-art verification techniques