Band Mapping in One-Step Photoemission Theory: Multi-Bloch-Wave Structure of Final States and Interference Effects

A novel Bloch-waves based one-step theory of photoemission is developed within the augmented plane wave formalism. Implications of multi-Bloch-wave structure of photoelectron final states for band mapping are established. Interference between Bloch components of initial and final states leads to prominent spectral features with characteristic frequency dispersion experimentally observed in VSe_2 and TiTe_2. Interference effects together with a non-free-electron nature of final states strongly limit the applicability of the common direct transitions band mapping approach, making the tool of one-step analysis indispensable.Comment: 4 jpg figure

Proving Type Class Laws for Haskell

Type classes in Haskell are used to implement ad-hoc polymorphism, i.e. a way to ensure both to the programmer and the compiler that a set of functions are defined for a specific data type. All instances of such type classes are expected to behave in a certain way and satisfy laws associated with the respective class. These are however typically just stated in comments and as such, there is no real way to enforce that they hold. In this paper we describe a system which allows the user to write down type class laws which are then automatically instantiated and sent to an inductive theorem prover when declaring a new instance of a type class.Comment: Presented at the Symposium for Trends in Functional Programming, 201

Finding Finite Models in Multi-Sorted First-Order Logic

This work extends the existing MACE-style finite model finding approach to multi-sorted first order logic. This existing approach iteratively assumes increasing domain sizes and encodes the related ground problem as a SAT problem. When moving to the multi-sorted setting each sort may have a different domain size, leading to an explosion in the search space. This paper focusses on methods to tame that search space. The key approach adds additional information to the SAT encoding to suggest which domains should be grown. Evaluation of an implementation of techniques in the Vampire theorem prover shows that they dramatically reduce the search space and that this is an effective approach to find finite models in multi-sorted first order logic.Comment: SAT 201

Electronic structure of GaAs1-xNx alloy by soft-X-ray absorption and emission: Origin of the reduced optical efficiency

The local electronic structure of N atoms in a diluted GaAs1-xNx (x=3%) alloy, in view of applications in optoelectronics, is determined for the first time using soft-X-ray absorption (SXA) and emission (SXE). Deviations from crystalline GaN, in particular in the conduction band, are dramatic. Employing the orbital character and elemental specificity of the SXE/SXA spectroscopies, we identify a charge transfer from the N atoms at the valence band maximum, reducing the overlap with the wavefunction in conduction band minimum, as the main factor limiting the optical efficiency of GaAs1-xNx alloys. Moreover, a k-conserving process of resonant inelastic x-ray scattering involving the L1 derived valence and conduction states is discovered.Comment: 3 pages, physica status solidi (Rapid Research Notes), in pres

Pressure-induced insulator-to-metal transition in low-dimensional TiOCl

We studied the transmittance and reflectance of the low-dimensional Mott-Hubbard insulator TiOCl in the infrared and visible frequency range as a function of pressure. The strong suppression of the transmittance and the abrupt increase of the near-infrared reflectance above 12 GPa suggest a pressure-induced insulator-to-metal transition. The pressure-dependent frequency shifts of the orbital excitations, as well as the pressure dependences of the charge gap and the spectral weight of the optical conductivity above the phase transition are presented.Comment: 4 pages, 6 figure

Property-Based Testing - The ProTest Project

The ProTest project is an FP7 STREP on property based testing. The purpose of the project is to develop software engineering approaches to improve reliability of service-oriented networks; support fault-finding and diagnosis based on specified properties of the system. And to do so we will build automated tools that will generate and run tests, monitor execution at run-time, and log events for analysis. The Erlang / Open Telecom Platform has been chosen as our initial implementation vehicle due to its robustness and reliability within the telecoms sector. It is noted for its success in the ATM telecoms switches by Ericsson, one of the project partners, as well as for multiple other uses such as in facebook, yahoo etc. In this paper we provide an overview of the project goals, as well as detailing initial progress in developing property based testing techniques and tools for the concurrent functional programming language Erlang

Direct k-space mapping of the electronic structure in an oxide-oxide interface

The interface between LaAlO3 and SrTiO3 hosts a two-dimensional electron system of itinerant carriers, although both oxides are band insulators. Interface ferromagnetism coexisting with superconductivity has been found and attributed to local moments. Experimentally, it has been established that Ti 3d electrons are confined to the interface. Using soft x-ray angle-resolved resonant photoelectron spectroscopy we have directly mapped the interface states in k-space. Our data demonstrate a charge dichotomy. A mobile fraction contributes to Fermi surface sheets, whereas a localized portion at higher binding energies is tentatively attributed to electrons trapped by O-vacancies in the SrTiO3. While photovoltage effects in the polar LaAlO3 layers cannot be excluded, the apparent absence of surface-related Fermi surface sheets could also be fully reconciled in a recently proposed electronic reconstruction picture where the built-in potential in the LaAlO3 is compensated by surface O-vacancies serving also as charge reservoir.Comment: 8 pages, 6 figures, incl. Supplemental Informatio