Evolution of spectral function in a doped Mott insulator : surface vs. bulk contributions

We study the evolution of the spectral function with progressive hole doping in a Mott insulator, $La_{1-x}Ca_xVO_3$ with $x$ = 0.0 - 0.5. The spectral features indicate a bulk-to-surface metal-insulator transition in this system. Doping dependent changes in the bulk electronic structure are shown to be incompatible with existing theoretical predictions. An empirical description based on the single parameter, $U/W$, is shown to describe consistently the spectral evolution.Comment: Revtex, 4 pages, 3 postscript figures. To appear in Phys. Rev. Let

Fermi-surface reconstruction involving two Van Hove singularities across the antiferromagnetic transition in BaFe2As2

We report an angle-resolved photoemission study of BaFe2As2, a parent compound of iron-based superconductors. Low-energy tunable excitation photons have allowed the first observation of a saddle-point singularity at the Z point, as well as the Gamma point. With antiferromagnetic ordering, both of these two van Hove singularities come down below the Fermi energy, leading to a topological change in the innermost Fermi surface around the kz axis from cylindrical to tear-shaped, as expected from first-principles calculation. These singularities may provide an additional instability for the Fermi surface of the superconductors derived from BaFe2As2.Comment: 14 pages, 4 figures, 1 tabl

Spin Motion in Electron Transmission through Ultrathin Ferromagnetic Films Accessed by Photoelectron Spectroscopy

Ab initio and model calculations demonstrate that the spin motion of electrons transmitted through ferromagnetic films can be analyzed in detail by means of angle- and spin-resolved core-level photoelectron spectroscopy. The spin motion appears as precession of the photoelectron spin polarization around and as relaxation towards the magnetization direction. In a systematic study for ultrathin Fe films on Pd(001) we elucidate its dependence on the Fe film thickness and on the Fe electronic structure. In addition to elastic and inelastic scattering, the effect of band gaps on the spin motion is addressed in particular.Comment: 4 pages, 5 figure

Comprehensive Researcher Achievement Model (CRAM): A framework for measuring researcher achievement, impact and influence derived from a systematic literature review of metrics and models

Objectives Effective researcher assessment is key to decisions about funding allocations, promotion and tenure. We aimed to identify what is known about methods for assessing researcher achievements, leading to a new composite assessment model. Design We systematically reviewed the literature via the Preferred Reporting Items for Systematic Review and Meta-Analysis Protocols framework. Data sources All Web of Science databases (including Core Collection, MEDLINE and BIOSIS Citation Index) to the end of 2017. Eligibility criteria (1) English language, (2) published in the last 10 years (2007-2017), (3) full text was available and (4) the article discussed an approach to the assessment of an individual researcher's achievements. Data extraction and synthesis Articles were allocated among four pairs of reviewers for screening, with each pair randomly assigned 5% of their allocation to review concurrently against inclusion criteria. Inter-rater reliability was assessed using Cohen's Kappa (A). The A statistic showed agreement ranging from moderate to almost perfect (0.4848-0.9039). Following screening, selected articles underwent full-text review and bias was assessed. Results Four hundred and seventy-eight articles were included in the final review. Established approaches developed prior to our inclusion period (eg, citations and outputs, h-index and journal impact factor) remained dominant in the literature and in practice. New bibliometric methods and models emerged in the last 10 years including: measures based on PageRank algorithms or 'altmetric' data, methods to apply peer judgement and techniques to assign values to publication quantity and quality. Each assessment method tended to prioritise certain aspects of achievement over others. Conclusions All metrics and models focus on an element or elements at the expense of others. A new composite design, the Comprehensive Researcher Achievement Model (CRAM), is presented, which supersedes past anachronistic models. The CRAM is modifiable to a range of applications

Opportunities and challenges for data physicalization

Physical representations of data have existed for thousands of years. Yet it is now that advances in digital fabrication, actuated tangible interfaces, and shape-changing displays are spurring an emerging area of research that we call Data Physicalization. It aims to help people explore, understand, and communicate data using computer-supported physical data representations. We call these representations physicalizations, analogously to visualizations -- their purely visual counterpart. In this article, we go beyond the focused research questions addressed so far by delineating the research area, synthesizing its open challenges and laying out a research agenda

Antimony-doped graphene nanoplatelets

Heteroatom doping into the graphitic frameworks have been intensively studied for the development of metal-free electrocatalysts. However, the choice of heteroatoms is limited to non-metallic elements and heteroatom-doped graphitic materials do not satisfy commercial demands in terms of cost and stability. Here we realize doping semimetal antimony (Sb) at the edges of graphene nanoplatelets (GnPs) via a simple mechanochemical reaction between pristine graphite and solid Sb. The covalent bonding of the metalloid Sb with the graphitic carbon is visualized using atomic-resolution transmission electron microscopy. The Sb-doped GnPs display zero loss of electrocatalytic activity for oxygen reduction reaction even after 100,000 cycles. Density functional theory calculations indicate that the multiple oxidation states (Sb3+ and Sb5+) of Sb are responsible for the unusual electrochemical stability. Sb-doped GnPs may provide new insights and practical methods for designing stable carbon-based electrocatalystsclose0

Single-cell analysis: visualizing pharmaceutical and metabolite uptake in cells with label-free 3D mass spectrometry imaging

Detecting metabolites and parent compound within a cell type is now a priority for pharmaceutical development. In this context, three-dimensional secondary ion mass spectrometry (SIMS) imaging was used to investigate the cellular uptake of the antiarrhythmic agent amiodarone, a phospholipidosis-inducing pharmaceutical compound. The high lateral resolution and 3D imaging capabilities of SIMS combined with the multiplex capabilities of ToF mass spectrometric detection allows for the visualization of pharmaceutical compound and metabolites in single cells. The intact, unlabeled drug compound was successfully detected at therapeutic dosages in macrophages (cell line: NR8383). Chemical information from endogenous biomolecules was used to correlate drug distributions with morphological features. From this spatial analysis, amiodarone was detected throughout the cell with the majority of the compound found in the membrane and subsurface regions and absent in the nuclear regions. Similar results were obtained when the macrophages were doped with amiodarone metabolite, desethylamiodarone. The FWHM lateral resolution measured across an intracellular interface in a high lateral resolution ion images was approximately 550 nm. Overall, this approach provides the basis for studying cellular uptake of pharmaceutical compounds and their metabolites on the single cell level