Structural and magnetic properties of Fe/ZnSe(001) interfaces

We have performed first principles electronic structure calculations to investigate the structural and magnetic properties of Fe/ZnSe(001) interfaces. Calculations involving full geometry optimizations have been carried out for a broad range of thickness of Fe layers(0.5 monolayer to 10 monolayers) on top of a ZnSe(001) substrate. Both Zn and Se terminated interfaces have been explored. Total energy calculations show that Se segregates at the surface which is in agreement with recent experiments. For both Zn and Se terminations, the interface Fe magnetic moments are higher than the bulk bcc Fe moment. We have also investigated the effect of adding Fe atoms on top of a reconstructed ZnSe surface to explore the role of reconstruction of semiconductor surfaces in determining properties of metal-semiconductor interfaces. Fe breaks the Se dimer bond formed for a Se-rich (2x1) reconstructed surface. Finally, we looked at the reverse growth i.e. growth of Zn and Se atoms on a bcc Fe(001) substrate to investigate the properties of the second interface of a magnetotunnel junction. The results are in good agreement with the theoretical and experimental results, wherever available.Comment: 7 pages, 8 figures, accepted for publication in PR

Coordination and chemical effects on the structural, electronic and magnetic properties in Mn pnictides

Simple structures of MnX binary compounds, namely hexagonal NiAs and zincblende, are studied as a function of the anion (X = Sb, As, P) by means of the all-electron FLAPW method within local spin density and generalized gradient approximations. An accurate analysis of the structural, electronic and magnetic properties reveals that the cubic structure greatly favours the magnetic alignment in these compounds leading to high magnetic moments and nearly half-metallic behaviour for MnSb and MnAs. The effect of the anion chemical species is related to both its size and the possible hybridization with the Mn $d$ states; both contributions are seen to hinder the magnitude of the magnetic moment for small and light anions. Our results are in very good agreement with experiment - where available - and show that the generalized gradient approximation is essential to correctly recover both the equilibrium volume and magnetic moment.Comment: 18 pages and 4 figures, Latex-file, submitted to Phys.Rev.

A search for ferromagnetism in transition-metal-doped piezoelectric ZnO

We present the results of a computational study of ZnO in the presence of Co and Mn substitutional impurities. The goal of our work is to identify potential ferromagnetic ground states within the (Zn,Co)O or (Zn,Mn)O material systems that are also good candidates for piezoelectricity. We find that, in contrast to previous results, robust ferromagnetism is not obtained by substitution of Co or Mn on the Zn site, unless additional carriers (holes) are also incorporated. We propose a practical scheme for achieving such $p$-type doping in ZnO

From bi-layer to tri-layer Fe nanoislands on Cu3Au(001)

Self assembly on suitably chosen substrates is a well exploited root to control the structure and morphology, hence magnetization, of metal films. In particular, the Cu3Au(001) surface has been recently singled out as a good template to grow high spin Fe phases, due to the close matching between the Cu3Au lattice constant (3.75 Angstrom) and the equilibrium lattice constant for fcc ferromagnetic Fe (3.65 Angstrom). Growth proceeds almost layer by layer at room temperature, with a small amount of Au segregation in the early stage of deposition. Islands of 1-2 nm lateral size and double layer height are formed when 1 monolayer of Fe is deposited on Cu3Au(001) at low temperature. We used the PhotoElectron Diffraction technique to investigate the atomic structure and chemical composition of these nanoislands just after the deposition at 140 K and after annealing at 400 K. We show that only bi-layer islands are formed at low temperature, without any surface segregation. After annealing, the Fe atoms are re-aggregated to form mainly tri-layer islands. Surface segregation is shown to be inhibited also after the annealing process. The implications for the film magnetic properties and the growth model are discussed.Comment: Revtex, 5 pages with 4 eps figure

Development of a tight-binding potential for bcc-Zr. Application to the study of vibrational properties

We present a tight-binding potential based on the moment expansion of the density of states, which includes up to the fifth moment. The potential is fitted to bcc and hcp Zr and it is applied to the computation of vibrational properties of bcc-Zr. In particular, we compute the isothermal elastic constants in the temperature range 1200K < T < 2000K by means of standard Monte Carlo simulation techniques. The agreement with experimental results is satisfactory, especially in the case of the stability of the lattice with respect to the shear associated with C'. However, the temperature decrease of the Cauchy pressure is not reproduced. The T=0K phonon frequencies of bcc-Zr are also computed. The potential predicts several instabilities of the bcc structure, and a crossing of the longitudinal and transverse modes in the (001) direction. This is in agreement with recent ab initio calculations in Sc, Ti, Hf, and La.Comment: 14 pages, 6 tables, 4 figures, revtex; the kinetic term of the isothermal elastic constants has been corrected (Eq. (4.1), Table VI and Figure 4

Search for jet extinction in the inclusive jet-pT spectrum from proton-proton collisions at s=8 TeV

Published by the American Physical Society under the terms of the Creative Commons Attribution 3.0 License. Further distribution of this work must maintain attribution to the author(s) and the published articles title, journal citation, and DOI.The first search at the LHC for the extinction of QCD jet production is presented, using data collected with the CMS detector corresponding to an integrated luminosity of 10.7  fb−1 of proton-proton collisions at a center-of-mass energy of 8 TeV. The extinction model studied in this analysis is motivated by the search for signatures of strong gravity at the TeV scale (terascale gravity) and assumes the existence of string couplings in the strong-coupling limit. In this limit, the string model predicts the suppression of all high-transverse-momentum standard model processes, including jet production, beyond a certain energy scale. To test this prediction, the measured transverse-momentum spectrum is compared to the theoretical prediction of the standard model. No significant deficit of events is found at high transverse momentum. A 95% confidence level lower limit of 3.3 TeV is set on the extinction mass scale

The Great Markarian 421 Flare of 2010 February: Multiwavelength Variability and Correlation Studies

We report on variability and correlation studies using multiwavelength observations of the blazar Mrk 421 during the month of 2010 February, when an extraordinary flare reaching a level of ∼27 Crab Units above 1 TeV was measured in very high energy (VHE) γ-rays with the Very Energetic Radiation Imaging Telescope Array System (VERITAS) observatory. This is the highest flux state for Mrk 421 ever observed in VHE γ-rays. Data are analyzed from a coordinated campaign across multiple instruments, including VHE γ-ray (VERITAS, Major Atmospheric Gamma-ray Imaging Cherenkov), high-energy γ-ray (Fermi-LAT), X-ray (Swift, Rossi X-ray Timing Experiment, MAXI), optical (including the GASP-WEBT collaboration and polarization data), and radio (Metsahovi, Owens Valley Radio Observatory, University of Michigan Radio Astronomy Observatory). Light curves are produced spanning multiple days before and after the peak of the VHE flare, including over several flare "decline" epochs. The main flare statistics allow 2 minute time bins to be constructed in both the VHE and optical bands enabling a cross-correlation analysis that shows evidence for an optical lag of ∼25-55 minutes, the first time-lagged correlation between these bands reported on such short timescales. Limits on the Doppler factor (δ ⪆ 33) and the size of the emission region (δ-1RB≲ 3.8 × 1013cm) are obtained from the fast variability observed by VERITAS during the main flare. Analysis of 10 minute binned VHE and X-ray data over the decline epochs shows an extraordinary range of behavior in the flux-flux relationship, from linear to quadratic to lack of correlation to anticorrelation. Taken together, these detailed observations of an unprecedented flare seen in Mrk 421 are difficult to explain with the classic single-zone synchrotron self-Compton model.</p

Insights into the high-energy γ-ray emission of Markarian 501 from extensive multifrequency observations in the Fermi era

We report on the γ-ray activity of the blazar Mrk 501 during the first 480 days of Fermi operation. We find that the average Large Area Telescope (LAT) γ-ray spectrum of Mrk 501 can be well described by a single power-law function with a photon index of 1.78 ± 0.03. While we observe relatively mild flux variations with the Fermi-LAT (within less than a factor of two), we detect remarkable spectral variability where the hardest observed spectral index within the LAT energy range is 1.52 ± 0.14, and the softest one is 2.51 ± 0.20. These unexpected spectral changes do not correlate with the measured flux variations above 0.3 GeV. In this paper, we also present the first results from the 4.5 month long multifrequency campaign (2009 March 15-August 1) on Mrk 501, which included the Very Long Baseline Array (VLBA), Swift, RXTE, MAGIC, and VERITAS, the F-GAMMA, GASP-WEBT, and other collaborations and instruments which provided excellent temporal and energy coverage of the source throughout the entire campaign. The extensive radio to TeV data set from this campaign provides us with the most detailed spectral energy distribution yet collected for this source during its relatively low activity. The average spectral energy distribution of Mrk 501 is well described by the standard one-zone synchrotron self-Compton (SSC) model. In the framework of this model, we find that the dominant emission region is characterized by a size ≲0.1 pc (comparable within a factor of few to the size of the partially resolved VLBA core at 15-43 GHz), and that the total jet power (≃1044 erg s-1) constitutes only a small fraction (∼10-3) of the Eddington luminosity. The energy distribution of the freshly accelerated radiating electrons required to fit the time-averaged data has a broken power-law form in the energy range 0.3 GeV-10 TeV, with spectral indices 2.2 and 2.7 below and above the break energy of 20 GeV. We argue that such a form is consistent with a scenario in which the bulk of the energy dissipation within the dominant emission zone of Mrk 501 is due to relativistic, proton-mediated shocks. We find that the ultrarelativistic electrons and mildly relativistic protons within the blazar zone, if comparable in number, are in approximate energy equipartition, with their energy dominating the jet magnetic field energy by about two orders of magnitude. © 2011. The American Astronomical Society

Searches for electroweak neutralino and chargino production in channels with Higgs, Z, and W bosons in pp collisions at 8 TeV

Searches for supersymmetry (SUSY) are presented based on the electroweak pair production of neutralinos and charginos, leading to decay channels with Higgs, Z, and W bosons and undetected lightest SUSY particles (LSPs). The data sample corresponds to an integrated luminosity of about 19.5 fb(-1) of proton-proton collisions at a center-of-mass energy of 8 TeV collected in 2012 with the CMS detector at the LHC. The main emphasis is neutralino pair production in which each neutralino decays either to a Higgs boson (h) and an LSP or to a Z boson and an LSP, leading to hh, hZ, and ZZ states with missing transverse energy (E-T(miss)). A second aspect is chargino-neutralino pair production, leading to hW states with E-T(miss). The decays of a Higgs boson to a bottom-quark pair, to a photon pair, and to final states with leptons are considered in conjunction with hadronic and leptonic decay modes of the Z and W bosons. No evidence is found for supersymmetric particles, and 95% confidence level upper limits are evaluated for the respective pair production cross sections and for neutralino and chargino mass values

Local Environment Effects and Energy Properties of bcc Fe-based Alloys

The effects of short-range order for bcc-based Fe-V, Fe-Cr and Fe-Co alloys have been investigated by supercell calculations and approximate self-consistent Linear Muffin Tin Orbital for substitutional disorder. This has allowed us to study the stability and electronic energy properties of ordered superlattices and of random solutions. We analyse the influence of local environment effects on the equilibrium and magnetic properties of the respective alloys. Total energy results show that short range order is important for Fe-Cr and Fe-V so that certain configurations are prefered, while in the Fe-Co system the total energies of several configurations are very close. It also implies that the density-of-states of the FeCo system can be described by the method for substitutional alloys. On the other hand differences in the short range order of FeV or FeCr, have large effects on density-of-states and magnetic order