Angular-resolved photoemission from NH3 on Ni(110)

NH₃ adsorbed on Ni(110) at a temperature of 100 K has been studied by angular-resolved ultraviolet photoelectron spectroscopy (ARUPS) using synchrotron radiation in the energy range 10 ? ? ω ? 35 eV. From ARUPS it is concluded that NH₃ bonds via its nitrogen lone-pair orbital with its molecular axis normal to the surface. For both the 3a₁ and 1e level dispersion has been found indicating lateral interactions within a compact NH₃ layer. Increasing the NH₃ coverage beyond the chemisorbed monolayer produces a physisorbed monolayer followed by a multilayer deposition of NH₃ phase on top which has been identified by photoemission and thermal desorption. Desorption and partial decomposition result from annealing. At 300 K NH₃ or NH is left at the surface which desorbs almost completely by annealing to 400 K.     

Angle-resolved photoemission from molecular N2 adsorbed on Ni(100)

Angle-resolved photoemission has been used to study the band structure of the ordered c(2 × 2) molecular nitrogen overlayer chemisorbed on Ni(100). The molecular nitrogen chemisorbs to the Ni(100) with the molecular axis perpendicular to the surface. The 1π_u, 3σ_g and 2σ_u (1π, 5σ and 4σ of adsorbed N₂) orbitals of N₂ are identified at 8.1 ± 0.05, 8.3 ± 0.1 and 12.8 ± 0.2 eV below the nickel Fermi energy at Г̄gG respectively. Angle-resolved photoemission of adsorbed molecular N₂ exhibits several satellite lines with less kinetic energy than the primary molecular orbital emission. These satellite lines are a final state effect. A k_∥ (parallel momentum vector) dependence of the satellite line intensity was observed.     

High-resolution angle-resolved photoemission study of oxygen adsorbed Fe/MgO(001)

We have investigated the electronic states of clean Fe(001) and oxygen adsorbed Fe(001)–p(1 × 1)-O films epitaxially grown on MgO(001) substrates by means of polarization-dependent angle-resolved photoemission spectroscopy(ARPES)and extensive density-functional theory(DFT) calculations. The observed Fermi surfaces and band dispersions of pure Fe near the Fermi level were modified upon oxygen adsorption. By the detailed comparison of ARPES and DFT results of the oxygen adsorbed Fe surface, we have clarified the orbital-dependent p–d hybridization in the topmost and second Fe layers.Furthermore, the observed energy levels and Fermi wave numbers for the oxygen adsorbed Fe surface were deviated from the DFT calculations depending on the orbital characters and momentum directions, indicating an anisotropic interplay of the electron correlation and p–d hybridization effects in the surface region.     

Structure of CO adsorbed on Ni (100)

The c(2 × 2) configuration of CO chemisorbed on Ni(100) has been examined by the dynamical LEED method of surface structure analysis. Experimental LEED intensity spectra of the (00), ($\text{1}\text{2}\text{1}\text{2}$) (10) and (11) LEED beams measured at 175 K are compared with the corresponding calculated spectra for two different CO potential constructions and a number of trial structures. The best agreement was found for a structure where the CO molecules sit directly above the Ni atoms with vertical spacings between the Ni and C and the C and O layers of 1.80 ± 0.10 A and 0.95 ± 0.10 Å respectively. It is proposed that the CO molecule is tipped over at an angle of 34° ± 10° with respect to the surface normal so that the actual carbon-oxygen bond length is close to the figure 1.15 Å found in Ni(CO)₄.     

Electronic structure of the YH3 phase from angle-resolved photoemission spectroscopy

Yttrium can be loaded with hydrogen up to high concentrations causing dramatic structural and electronic changes of the host lattice. We report on angle-resolved photoemission experiments of the Y trihydride phase. Most importantly, we find the absence of metal d bands at the Fermi level and a set of flat, H-induced bands located at much higher binding energy than predicted, indicating an increased electron affinity at H sites.     

Observation of p- and d-like surface states on CuCl(100) by angle-resolved photoemission

In the course of a systematic ultraviolet photoemission study of the electronic band structure of CuCl, we have identified two occupied surface states on CuCl(100), situated at 0.25 and 3.0 eV below valence band maximum in normal emission spectra. They essentially show pure p- and d-like orbital symmetry, respectively. We interpret them as a chlorine p_x,y-like occupied antibonding resonance and a copper Γ₁₂-derived state split off from the bulk orbitals by the surface potential. We also present critical point energies along Γ-X and Γ-L.     

The valence band structure of HfN0.93 (100) studied by angle-resolved photoemission

The valence band structure of a HfN_0.93 (100) crystal has been investigated utilizing angle-resolved photoemission and HeI, NeI and ArI radiation. The experimental data are compared with calculated spectra and calculated direct transitions for stoichiometric HfN. The comparison shows that most of the structures in the recorded spectra can be identified as originating from bulk band transitions. The dispersions of the experimental peaks are predicted reasonably well theoretically, using final states approximated by free-electron bands. However, the experimental peaks are in general found somewhat deeper below the Fermi level than the calculated positions.     

Angle-resolved resonant photoemission of Ni(100) and Ni(110) single crystals

We have studied the valence band photoemission spectra of Ni(100) and Ni(110) single crystals near the excitation threshold for 3p core electrons. The resonant behavior of the 6 eV satellite does not depend on both the surface orientation and the polarization of the electric vector of an incident light for excitation. These results indicate that the 6 eV satellite should be under little influence of spatial symmetry of the valence band. In the angle-resolved photoemission spectra of Ni(100), we have observed another broad feature near the 6 eV satellite. It shows the large energy dispersion and is interpreted as due to the interband transition. In Ni(110), we have observed the weak valence band satellites at binding energies of about 9.3 eV and 13.4 eV. They do not show well-defined resonance around the 3p threshold.     

Entropy-controlled site occupation of CO adsorbed on Ni(100)

The adsorption of CO on a Ni(100) surface has been studied by FT-IRAS in the temperature range from 85 K to 300 K. At 300 K and for =0.5, the CO molecules are predominantly adsorbed in on-top sites with only a minor fraction located at two-fold bridge sites. Measurements on a Ni(100) surface pre-covered with sulphur, oxygen and carbon indicate that the occupation of bridge sites may be caused by small amounts of surface impurities. The relative broadness of the infrared bands is explained by CO molecules occupying intermediate positions at domain walls. Upon lowering the temperature, the bridge sites are increasingly occupied at the expense of terminal sites. This process is completely reversible and is explained by a contribution of the hindered translations of the adsorbed CO molecules to the entropy. At 85 K and for low initial coverages, we observe an unusual high CO stretching frequency at 2205 cm^–1 which cannot be explained at present.     

BCS-like Bogoliubov quasiparticles in high-T(c) superconductors observed by angle-resolved photoemission spectroscopy

We performed high-resolution angle-resolved photoemission spectroscopy on triple-layered high-T(c) cuprate Bi(2)Sr(2)Ca(2)Cu(3)O(10+delta). We have observed the full energy dispersion (electron and hole branches) of Bogoliubov quasiparticles and determined the coherence factors above and below E(F) as a function of momentum from the spectral intensity as well as from the energy dispersion based on BCS theory. The good quantitative agreement between the experiment and the theoretical prediction suggests the basic validity of BCS formalism in describing the superconducting state of cuprates.     

Insights from angle-resolved photoemission spectroscopy of an undoped four-layered two-gap high-T(c) superconductor

An undoped cuprate with apical fluorine and inner (i) and outer (o) CuO(2) layers is a 60 K superconductor whose Fermi surface has large n- and p-doped sheets with the superconducting gap on the n sheet twice that on the p sheet. The Fermi surface is not reproduced by the local density approximation, but the screening must be substantially reduced due to electronic correlations, and oxygen in the o layers must be allowed to dimple outwards. This charges the i layers by 0.01|e|, causes a 0.4 eV Madelung-potential difference between the i and o layers, quenches the i-o hopping, and localizes the n sheets onto the i layers, thus protecting their d-wave pairs from being broken by scattering on impurities in the BaF layers. The correlation-reduced screening strengthens the coupling to z-axis phonons.     

The oxidation of a Cu(100) single crystal studied by angle-resolved photoemission using a range of photon energies

The changes which occur in the angle-dispersive photoemission spectra of a Cu(100) single crystal with increasing exposure to oxygen are described. They are interpreted in terms of an initial chemisorption stage followed by a gradual incorporation of oxygen and reconstruction of the surface region to a “Cu₂O” type layer. The use of different photon energies and angleresolving methods facilitates an identification of the various stages by emphasising the appropriate spectral features.     

Fermi surface and anisotropic spin-orbit coupling of Sb(111) studied by angle-resolved photoemission spectroscopy

High-resolution angle-resolved photoemission spectroscopy has been performed on Sb(111) to elucidate the origin of anomalous electronic properties in group-V semimetal surfaces. The surface was found to be metallic despite the semimetallic character of bulk. We clearly observed two surface-derived Fermi surfaces which are likely spin split, demonstrating that the spin-orbit interaction plays a dominant role in characterizing the surface electronic states of group-V semimetals. The universality or dissimilarity of the electronic structure in Bi and Sb is discussed in relation to the granular superconductivity, electron-phonon coupling, and surface charge or spin density wave.