Electronic structure of lanthanide-doped bismuth vanadates: A systematic study by x-ray photoelectron and optical spectroscopies

Monoclinic BiVO 4 has emerged in recent years as one of the most promising materials for photocatalytic evolution of oxygen under solar irradiation. However, it is in itself unable to phototcatalyze reduction of water to hydrogen due to the placement of the conduction band edge below the potential required for H 2 O/H 2 reduction. As a consequence, BiVO 4 only finds application in a hybrid system. Very recently, tetragonal lanthanide-doped BiVO 4 powders have been shown to be able to both reduce and to oxidize water under solar irradiation, but to date there has been no comprehensive study of the electronic properties of lanthanide-doped bismuth vanadates aimed at establishing the systematic trends in the electronic structure in traversing the lanthanide series. Here, the accessible family of lanthanide-doped BiVO 4 quaternary oxides of stoichiometry Bi 0.5 Ln 0.5 VO 4 (Ln = La to Lu, excluding Pm) has been studied by X-ray powder diffraction, X-ray photoemission spectroscopy, and diffuse reflectance optical spectroscopy. The compounds all adopt the tetragonal zircon structure, and lattice parameters decrease monotonically in traversing the lanthanide series. At the same time, there is an increased peak broadening in the diffraction patterns as the mismatch in ionic radius between Bi 3+ and the Ln 3+ ions increases across the series. Valence band X-ray photoemission spectra show that the final state 4f n-1 structure associated with ionization of lanthanide 4f n states is superimposed on the valence band structure of BiVO 4 in the quaternary materials: in the case of the Ce-, Pr- and Tb-doped BiVO 4 , 4f-related states appear above the top of the main valence band of BiVO 4 and account for the small bandgap in the Ce compound. In all cases, the 4f structure is characteristic of the lanthanide element in the Ln(III) oxidation state. Vanadium 2p and lanthanide 3d or 4d core level photoelectron spectra of those compounds where the lanthanide may in principle adopt a higher (Ln = Ce, Pr, Tb) or lower (Ln = Eu, Yb) oxidation state further confirm the prevalence of the Ln(III) valence state throughout. The visible region optical properties of all samples were studied by diffuse reflectance spectroscopy, with a particular focus on the optical bandgap and the details of transitions associated with localized 4f states. Taken together, the results demonstrate the remarkable tunability of optical and electronic properties for these quaternary materials

Electronic Structure and Interface Energetics of CuBi2O4 Photoelectrodes

CuBi2O4 exhibits significant potential for the photoelectrochemical (PEC) conversion of solar energy into chemical fuels, owing to its extended visible-light absorption and positive flat band potential vs the reversible hydrogen electrode. A detailed understanding of the fundamental electronic structure and its correlation with PEC activity is of significant importance to address limiting factors, such as poor charge carrier mobility and stability under PEC conditions. In this study, the electronic structure of CuBi2O4 has been studied by a combination of hard X-ray photoemission spectroscopy, resonant photoemission spectroscopy, and X-ray absorption spectroscopy (XAS) and compared with density functional theory (DFT) calculations. The photoemission study indicates that there is a strong Bi 6s–O 2p hybrid electronic state at 2.3 eV below the Fermi level, whereas the valence band maximum (VBM) has a predominant Cu 3d–O 2p hybrid character. XAS at the O K-edge supported by DFT calculations provides a good description of the conduction band, indicating that the conduction band minimum is composed of unoccupied Cu 3d–O 2p states. The combined experimental and theoretical results suggest that the low charge carrier mobility for CuBi2O4 derives from an intrinsic charge localization at the VBM. Also, the low-energy visible-light absorption in CuBi2O4 may result from a direct but forbidden Cu d–d electronic transition, leading to a low absorption coefficient. Additionally, the ionization potential of CuBi2O4 is higher than that of the related binary oxide CuO or that of NiO, which is commonly used as a hole transport/extraction layer in photoelectrodes. This work provides a solid electronic basis for topical materials science approaches to increase the charge transport and improve the photoelectrochemical properties of CuBi2O4-based photoelectrodes

Observation of associated near-side and away-side long-range correlations in √sNN=5.02 TeV proton-lead collisions with the ATLAS detector

Two-particle correlations in relative azimuthal angle (Δϕ) and pseudorapidity (Δη) are measured in √sNN=5.02  TeV p+Pb collisions using the ATLAS detector at the LHC. The measurements are performed using approximately 1  μb-1 of data as a function of transverse momentum (pT) and the transverse energy (ΣETPb) summed over 3.1<η<4.9 in the direction of the Pb beam. The correlation function, constructed from charged particles, exhibits a long-range (2<|Δη|<5) “near-side” (Δϕ∼0) correlation that grows rapidly with increasing ΣETPb. A long-range “away-side” (Δϕ∼π) correlation, obtained by subtracting the expected contributions from recoiling dijets and other sources estimated using events with small ΣETPb, is found to match the near-side correlation in magnitude, shape (in Δη and Δϕ) and ΣETPb dependence. The resultant Δϕ correlation is approximately symmetric about π/2, and is consistent with a dominant cos⁡2Δϕ modulation for all ΣETPb ranges and particle pT

Measurements of Higgs boson production and couplings in the four-lepton channel in pp collisions at center-of-mass energies of 7 and 8 TeV with the ATLAS detector

The final ATLAS Run 1 measurements of Higgs boson production and couplings in the decay channel H→ZZ∗→ℓ+ℓ−ℓ'+ℓ'−, where ℓ,ℓ′=e or μ, are presented. These measurements were performed using pp collision data corresponding to integrated luminosities of 4.5 and 20.3  fb−1 at center-of-mass energies of 7 and 8 TeV, respectively, recorded with the ATLAS detector at the LHC. The H→ZZ∗→4ℓ signal is observed with a significance of 8.1 standard deviations, with an expectation of 6.2 standard deviations, at mH=125.36  GeV, the combined ATLAS measurement of the Higgs boson mass from the H→γγ and H→ZZ∗→4ℓ channels. The production rate relative to the Standard Model expectation, the signal strength, is measured in four different production categories in the H→ZZ∗→4ℓ channel. The measured signal strength, at this mass, and with all categories combined, is 1.44+0.40−0.33. The signal strength for Higgs boson production in gluon fusion or in association with tt¯ or bb¯ pairs is found to be 1.7+0.5−0.4, while the signal strength for vector-boson fusion combined with WH/ZH associated production is found to be 0.3+1.6−0.9

Performance of the ATLAS muon trigger in pp collisions at [Formula: see text] TeV

The performance of the ATLAS muon trigger system is evaluated with proton-proton collision data collected in 2012 at the Large Hadron Collider at a centre-of-mass energy of 8 TeV. It is primarily evaluated using events containing a pair of muons from the decay of [Formula: see text] bosons. The efficiency of the single-muon trigger is measured for muons with transverse momentum [Formula: see text] GeV, with a statistical uncertainty of less than 0.01 % and a systematic uncertainty of 0.6 %. The [Formula: see text] range for efficiency determination is extended by using muons from decays of [Formula: see text] mesons, [Formula: see text] bosons, and top quarks. The muon trigger shows highly uniform and stable performance. The performance is compared to the prediction of a detailed simulation

Search for Higgs and Z Boson Decays to J/ψγ and ϒ(nS)γ with the ATLAS Detector.

A search for the decays of the Higgs and Z bosons to J/ψγ and ϒ(nS)γ (n=1,2,3) is performed with pp collision data samples corresponding to integrated luminosities of up to 20.3  fb^{-1} collected at sqrt[s]=8  TeV with the ATLAS detector at the CERN Large Hadron Collider. No significant excess of events is observed above expected backgrounds and 95% C.L. upper limits are placed on the branching fractions. In the J/ψγ final state the limits are 1.5×10^{-3} and 2.6×10^{-6} for the Higgs and Z boson decays, respectively, while in the ϒ(1S,2S,3S)γ final states the limits are (1.3,1.9,1.3)×10^{-3} and (3.4,6.5,5.4)×10^{-6}, respectively.We acknowledge the support of ANPCyT, Argentina; YerPhI, Armenia; ARC, Australia; BMWFW and FWF, Austria; ANAS, Azerbaijan; SSTC, Belarus; CNPq and FAPESP, Brazil; NSERC, NRC and CFI, Canada; CERN; CONICYT, Chile; CAS, MOST and NSFC, China; COLCIENCIAS, Colombia; MSMT CR,MPO CR and VSC CR, Czech Republic; DNRF, DNSRC and Lundbeck Foundation, Denmark; EPLANET, ERC and NSRF, European Union; IN2P3-CNRS, CEA-DSM/ IRFU, France; GNSF, Georgia; BMBF, DFG, HGF, MPG and AvH Foundation, Germany; GSRT and NSRF, Greece; ISF, MINERVA, GIF, I-CORE and Benoziyo Center, Israel; INFN, Italy; MEXT and JSPS, Japan; CNRST, Morocco; FOM and NWO, Netherlands;BRF and RCN, Norway; MNiSW and NCN, Poland;GRICES and FCT, Portugal; MNE/IFA, Romania; MES of Russia and ROSATOM, Russian Federation; JINR;MSTD, Serbia; MSSR, Slovakia; ARRS and MIZŠ, Slovenia; DST/NRF, South Africa; MINECO, Spain;SRC and Wallenberg Foundation, Sweden; SER, SNSF and Cantons of Bern and Geneva, Switzerland; NSC,Taiwan; TAEK, Turkey; STFC, the Royal Society and Leverhulme Trust, United Kingdom; DOE and NSF, United States of America

Electron reconstruction and identification efficiency measurements with the ATLAS detector using the 2011 LHC proton–proton collision data

Many of the interesting physics processes to be measured at the LHC have a signature involving one or more isolated electrons. The electron reconstruction and identification efficiencies of the ATLAS detector at the LHC have been evaluated using proton–proton collision data collected in 2011 at s√=7 TeV and corresponding to an integrated luminosity of 4.7 fb −1. Tag-and-probe methods using events with leptonic decays of W and Z bosons and J/ψ mesons are employed to benchmark these performance parameters. The combination of all measurements results in identification efficiencies determined with an accuracy at the few per mil level for electron transverse energy greater than 30 GeV

Search for pair and single production of new heavy quarks that decay to a Z boson and a third-generation quark in pp collisions at root s=8 TeV with the ATLAS detector

Open Access. This article is distributed under the terms of the Creative Commons Attribution License (CC-BY 4.0), which permits any use, distribution and reproduction in any medium, provided the original author(s) and source are credited

Centrality, rapidity, and transverse momentum dependence of isolated prompt photon production in lead-lead collisions at TeV measured with the ATLAS detector

Prompt photon production in $\sqrt{s_{\mathrm{NN}}} = 2.76$ TeV Pb+Pb collisions has been measured by the ATLAS experiment at the Large Hadron Collider using data collected in 2011 with an integrated luminosity of 0.14 nb$^{-1}$. Inclusive photon yields, scaled by the mean nuclear thickness function, are presented as a function of collision centrality and transverse momentum in two pseudorapidity intervals, $|\eta| < 1.37$ and $1.52 < |\eta| < 2.37$. The scaled yields in the two pseudorapidity intervals, as well as the ratios of the forward yields to those at midrapidity, are compared to the expectations from next-to-leading order perturbative QCD calculations from JETPHOX. The measured cross sections agree well with the predictions for proton-proton collisions within statistical and systematic uncertainties. Both the yields and ratios are also compared to two other pQCD calculations, one which uses the isospin content appropriate to colliding lead nuclei, and another which includes the EPS09 nuclear modifications to the nucleon parton distribution functions.Comment: 28 pages plus author list (45 pages total), 8 figures, 8 tables, Submitted to Phys. Rev. C., all figures are available at https://atlas.web.cern.ch/Atlas/GROUPS/PHYSICS/PAPERS/HION-2012-02

Measurements of top-quark pair differential cross-sections in the lepton plus jets channel in pp collisions at root s=8 TeV using the ATLAS detector

Measurements of normalized differential cross-sections of top-quark pair production are presented as a function of the top-quark, tt¯tt¯ system and event-level kinematic observables in proton–proton collisions at a centre-of-mass energy of s√=8TeVs=8TeV . The observables have been chosen to emphasize the tt¯tt¯ production process and to be sensitive to effects of initial- and final-state radiation, to the different parton distribution functions, and to non-resonant processes and higher-order corrections. The dataset corresponds to an integrated luminosity of 20.3 fb −1−1 , recorded in 2012 with the ATLAS detector at the CERN Large Hadron Collider. Events are selected in the lepton+jets channel, requiring exactly one charged lepton and at least four jets with at least two of the jets tagged as originating from a b-quark. The measured spectra are corrected for detector effects and are compared to several Monte Carlo simulations. The results are in fair agreement with the predictions over a wide kinematic range. Nevertheless, most generators predict a harder top-quark transverse momentum distribution at high values than what is observed in the data. Predictions beyond NLO accuracy improve the agreement with data at high top-quark transverse momenta. Using the current settings and parton distribution functions, the rapidity distributions are not well modelled by any generator under consideration. However, the level of agreement is improved when more recent sets of parton distribution functions are used