Surface electronic structure of the Cu(111)/Na adsorption system

An ab initio calculation of the surface electronic structure of the Cu(111)/Na adsorption is presented. The results are consistent with (a) the bulk Cu band structure, (b) the known properties of the clean Cu(111) surface and (c) the extremely narrow and intense photoemission peak observed at E_F for adsorbed Na.     

Electron states on the (111) surface of copper

A calculation of electronic states at the (111)-surface of Cu in the energy region around E_F is presented. The calculation is based on the empirical pseudopotential method. A proper position of an abrupt potential barrier ensures overall charge neutrality. A surface state is found at 0.13 eV below E_F, being localized midway between atomic layers. The effective mass of the associate bands is 0.39m_e. Our results are in good agreement with directional photoemission data.     

Surface electronic structure of the organic superconductor κ-(ET)2Cu(NCS)2 studied via photoemission microscopy

The surface electronic structure of cleaved single crystals of the organic superconductor κ-(ET)₂Cu(NCS)₂ has been studied using photoemission microscopy. Two types of cleaved surfaces were observed, displaying different valence band photoemission spectra and different spectral behavior near the Fermi level, E_F. In particular, spectra from one surface type display relatively broad spectral features in the valence band and finite spectral intensity at E_F, while spectra from the other surface type show well-defined valence band emission features and zero photoemission intensity at E_F. We propose that the spectral differences are due to a very short electron mean free path in this material, and our results are used to explain the differences between previously published photoemission spectra from this superconductor. We also report the results of an investigation of the electronic structure of defects in this material.     

Surface electronic structure of α-Mo2C(0 0 0 1)

The electronic structure of α-Mo₂C(0 0 0 1) has been investigated by angle-resolved photoemission spectroscopy utilizing synchrotron radiation. A sharp peak is observed at 3.3 eV in normal-emission spectra. Since the peak shows no dispersion as a function of photon energy and is sensitively attenuated by oxygen adsorption, the initial state of the peak is attributed to a surface state. Resonant photoemission study shows that the state includes substantial contribution of 4d orbitals of the Mo atoms in the second layer. The emissions with constant kinetic energies of 22 and 31 eV above the Fermi level (E_F) are found in normal-emission spectra, and these emissions are interpreted as originating from the Mo N₁N₂₃V and N₂₃VV Auger transitions, respectively.     

Angular resolved photoemission from intrinsic surface states on Al (100)

Using photon energies of 11.7, 16.8 and 21.2 eV, we have recorded angular resolved photoemission spectra from clean Al (100). A dominant, surface sensitive peak is interpreted as emission from a two-dimensional band of surface states. The band mass is $\text{m}{}^1\text{=(1.03±0.10)m}$, and the band minimum, (2.8±0.2) eV below E_F for surface momentum k₆=0, is located within the bulk band gap. The observed existence of the peak for large values of k₆, indicates a transition from a true surface state to a surface resonance.     

Three-photon photoemission from Cu(100): observation of an unoccupied surface state near gG

The photon energy dependence has been measured for three-photon photoemission from Cu(100). A narrow resonance (FWHM = 0.02 eV) was observed centered at 2.02 eV photon energy. The resonance can be explained by the presence of an unoccupied surface state near the center of the surface Brillouin zone at gG and 2.0 eV above E_F.     

Intrinsic surface state on Be(0 0 0 1)

Using monochromatized synchrotron radiation in the range 24–30 eV, we have recorded angle-resolved photoemission spectra from a clean Be(0 0 0 1) crystal face. A surface state located in a band gap around Γ with an initial state energy of ?2.8 eV in normal emission was found. For k_∥ along the $\text{Γ}$$\text{M}$ line the surface state disperses upwards and passes E_F at about 55% of the distance to the surface Brillouin zone boundary.     

Near EF electronic structure of heavily boron-doped superconducting diamond

We have performed soft X-ray angle-resolved photoemission spectroscopy (SXARPES) of a heavily boron-doped superconducting diamond film (T_c=7.2 K) in order to study the electronic structure near the Fermi level (E_F). Careful determination of measured momentum space that across Γ point in the Brillouin zone (BZ) and increase of an energy resolution provide further spectroscopic evidence that E_F is located at the highly dispersive diamond-like bands, indicating that holes at the top of the diamond-like valence band play an essential role for the conducting properties of the heavily boron-doped superconducting diamond for this boron-doping region (effective carrier concentration of 1.6%). The SXARPES intensities at E_F were also mapped out over BZ to obtain experimental Fermi surface sheets and compared with calculations.     

Hydrogen chemisorption on W {110}: Angle-resolved photoemission

Normal photoemission spectra (k_∥ = 0) from a W {110} surface reveal 2 major resonances during hydrogen chemisorption, at 2.0 and 4 eV below the Fermi level, E_F. The former appears at 300 K during filling of the low coverage β₂ state, and the latter grows as the β₁ state is filled. Detailed spectra obtained along the $\text{}\text{?}$gS and $\text{}\text{?}$gD azimuths are reported, showing additional resonances at ~0.5, 1,3,6 and ~7 eV below E_F. A structural model is proposed, based on a consideration of the present results in relation to RHEED and HRELS data, for the H-saturated surface in which a p(1 × 2) structure is formed, at a H: surface W ratio of unity, with β₁ adatoms occupying a close bridge position and β₂ adatoms in a 3-fold hollow site.     

Structural, magnetic properties and photoemission study of Ni-doped ZnO

Nickel-doped ZnO (Zn_1−xNi_xO) have been produced using rf magnetron sputtering. X-ray diffraction measurements revealed that nickel atoms were successfully incorporated into ZnO host matrix without forming any detectable secondary phase. Ni 2p core-level photoemission spectroscopy confirmed this result and suggested Ni has a chemical valence of 2+. According to the magnetization measurements, no ferromagnetic but paramagnetic behavior was found for Zn_0.86Ni_0.14O. We studied the electronic structure of Zn_0.86Ni_0.14O by valence-band photoemission spectroscopy. The spectra demonstrate a structure at ∼2 eV below the Fermi energy E_F, which is of Ni 3d origin. No emission was found at E_F, suggesting the insulating nature of the film.     

Unoccupied surface states on the (111) surface of silver: Evidence for broadening

We have studied Ag(111) withk-resolved inverse photoemission spectroscopy athv=9.7 eV. In normal incidence we find image-state emission atE _vac–(0.4±0.1) eV and the unoccupied part of an intrinsic surface-state band as a huge emission peak cut byE _F. The energy dispersion of the intrinsic surface-state band and in particular its crossing ofE _F predicted by Ho et al. cannot be observed because of broadening effects as is shown by a theoretical simulation. The broadening is due to the vicinity of the surface state to the bulk continuum nearE _F as suggested by Kevan.     

Surface photoemission in the 4d band from polycrystalline silver surfaces

Surface induced local d-band states in the upper 4d band between ～ 4 and ～ 5.2 eV below E_Fermi have been identified for polycrystalline silver films in photoemission experiments using synchroton radiation. A thin over-coat (10 å) by an Al film leads to a depression of these surface induced local states whereas a change from s- to p-polarized excitation leads to an enhancement. Deposition of additional silver (～ 3 Å) at 120 K induces additional emission 4.2 eV below E_F with a FWHM of only ～ 0.4 eV.     

Modulated photoemission spectroscopy: Application to Au

We describe modulated photoemission spectroscopy, in which an internal (sample) parameter such as temperature, or an external (apparatus) parameter such as wavelength is varied. A general formalism is developed for modulated photoemission spectroscopy and then illustrated using temperature modulated photoemission spectra and yields for Au obtained in the ～ 6 to 11.6 eV photon energy range. Modulated s-p band photoemission data are described in terms of photoemission critical points in order to explain the nature of the modulated structures in the s-p band region and relate experiment to energy band thresholds obtained from a recent band calculation for Au. Application of the formalism to modulated d-band emission leads to a method for extracting d-band deformation potentials. For example, we find that the upper d band edge moves upward with respect to E_F at a rate of 2 to 6 × 10^?4 eV/K. Modulation of the quantum yield is described and our measurements are compared with modulated optical data.     

Comparative study of the GaAs(1 0 0) surface cleaned by atomic hydrogen

In attempt to correlate electronic properties and chemical composition of atomic hydrogen cleaned GaAs(1 0 0) surface, high-resolution photoemission yield spectroscopy (PYS) combined with Auger electron spectroscopy (AES) and mass spectrometry has been used. Our room temperature investigation clearly shows that the variations of surface composition and the electronic properties of a space charge layer as a function of atomic hydrogen dose display three successive interaction stages. There exists a contamination etching stage which is observed up to around 250 L of atomic hydrogen dose followed by a transition stage and a degradation stage which is observed beyond 700 L of exposure. In the first stage, a linear shift in the surface Fermi level is observed towards the conduction band by 0.14 eV, in agreement to the observed restoration of the surface stoichiometry and contamination removal. The next stage is characterized by a drop in ionization energy and work function, which quantitatively agrees with the observed Ga-enrichment as well as the tail of the electronic states attributed to the breaking As-dimers. As a result of the strong hydrogenation, the interface Fermi level E_F − E_v has been pinned at the value of 0.75 eV what corresponds to the degradation stage of the GaAs(1 0 0) surface that exhibits metallic density of states associated with Ga_As antisites defects. The results are discussed quantitatively in terms of the surface molecule approach and compared to those obtained by other groups.     

Surface states ond-band metals

Electron surface states ond-band metals are investigated by the method of matching the crystal wave function to the outside solution at the surface. On a (100) surface of anfcc structure such a state is found near to the crossover of thes-band and thed-band of the same symmetry. In Ni this state lies 4–5 eV below the Fermi energy, for Cu 5–6 V beloweE _F. It explains the density of states anomaly seen in photoemission.     

Optical properties and electronic structure of US

The optical properties of uranium sulphide single crystals have been determined for the first time. An excellent agreement is found between the structure in the optical spectrum and the results of a self-consistent cellular multiple scattering calculation. The results evidence that the 5? electrons form a resonance state at E_F and that the 5??6d coupling produces a dip in the 6d density of states near E_F which is responsible for many peculiar properties of US.     

Carbon monoxide adsorption on the metastable fcc-Co/Cu(1 0 0) surface

The adsorption properties of CO on the epitaxial five-monolayer Co/Cu(1 0 0) system, where the Co overlayer has stabilized in the metastable fcc-phase, are reported. This system is known to exhibit metallic quantum well (MQW) states at energies 1 eV or greater above the Fermi level, which may influence CO adsorption. The CO/fcc-Co/Cu(1 0 0) system was explored with low energy electron diffraction (LEED), inverse photoemission (IPE), reflection-absorption infrared spectroscopy (RAIRS) and temperature programmed desorption (TPD). Upon CO adsorption, a new feature is observed in IPE at 4.4 eV above E_F and is interpreted as the CO 2π^∗ level. When adsorbed at room temperature, TPD exhibits a CO desorption peak at ∼355 K, while low temperature adsorption reveals additional binding configurations with TPD features at ∼220 K and ∼265 K. These TPD peak temperatures are correlated with different C-O stretch vibrational frequencies observed in the IR spectra. The adsorption properties of this surface are compared to those of the surfaces of single crystal hcp-Co, as well as other metastable thin film systems.     

Charge-density-wave partial gap opening in quasi-2D KMo6O17 purple bronze studied by angle resolved photoemission spectroscopy

Low dimensional (LD) metallic oxides have been a subject of continuous interest in the last two decades, mainly due to the electronic instabilities that they present at low temperatures. In particular, charge density waves (CDW) instabilities associated with a strong electron-phonon interaction have been found in Molybdenum metallic oxides such as KMo₆O₁₇ purple bronze. We report an angle resolved photoemission (ARPES) study from room temperature (RT) to T ∼40 K well below the Peierls transition temperature for this material, with CDW transition temperature T_CDW ∼120 K. We have focused on photoemission spectra along ΓM high symmetry direction as well as photoemission measurements were taken as a function of temperature at one representative k_F point in the Brillouin zone in order to look for the characteristic gap opening after the phase transition. We found out a pseudogap opening and a decrease in the density of states near the Fermi energy, E_F, consistent with the partial removal of the nested portions of the Fermi surface (FS) at temperature below the CDW transition. In order to elucidate possible Fermi liquid (FL) or non-Fermi liquid (NFL) behaviour we have compared the ARPES data with that one reported on quasi-1D K_0.3MoO₃ blue bronze.     

Search for isobaric analogues of M1 states and giant spinflip resonances in the 208Pb(p,n) reaction

The ²⁰⁸Pb(p, n)²⁰⁸Bi reaction has been studied at E_p=120 and 160 MeV. The GT resonance is found to be concentrated in disagreement with a recent theoretical suggestion that it is highly fragmented in heavy nuclei, but in good agreement with an earlier calculation. A giant Δl = 1, ΔS = 1 resonance is also observed.     

A LEED/UPS study on the interaction of oxygen with a Ni(111) surface

Exposure of a Ni(111) surface to oxygen leads at first to the formation of a chemisorbed overlayer which is characterized by a 2 × 2-superstructure and a maximum in the photoemission spectrum (hv = 40.8 eV) centered at 5.6 eV below the Fermi level E_F. The emission from the Ni d-states is nearly unaffected at this stage of interaction. After high oxygen exposures the epitaxial growth of NiO can be identified from the LEED pattern. The corresponding photoelectron spectrum is strongly altered and exhibits close agreement with the transition energies as calculated by Messmer et al. for a NiO₆^10- -cluster.