Synchrotron photoemission studies of pentacene films on Cu(1 1 0)

We have investigated the nature of the interaction between pentacene and Cu(1 1 0) for films grown by two different methods, and the energy level alignment at the resulting pentacene/Cu(1 1 0) interface. The first film was grown in a stepwise fashion at room temperature while the second film was grown using an annealed monolayer to template the growth of the subsequent layers. Synchrotron based photoemission techniques have been used to compare the initial stages of the growth of the two films. A thorough examination of the growth of both films indicates a strong bond between the initial monolayer of pentacene and the Cu(1 1 0) substrate, in addition to a change in molecular orientation for subsequent layers after the completion of the initial monolayer. A comparison of the two films indicates identical film growth for both films with the film templated by the annealed monolayer exhibiting a more uniform growth mode for the film thicknesses investigated.     

Fe/ZnO(0001)界面的同步辐射光电子能谱研究

利用同步辐射光电子能谱研究了Fe/ZnO生长模式、界面化学反应和电子结构.结果表明，Fe在ZnO(0001)表面以类SK模式生长(单层加岛状生长).当沉积约2?的Fe后，生长模式开始从二维层状生长转变成混合模式生长.界面价带谱和Fe3p芯能级谱的分析表明，在低覆盖度下，约有一个原子层(约1.5?)的Fe被ZnO(0001)面的外层O原子氧化，随着沉积厚度的增加，金属态Fe的信号逐渐增强.当吸附了5.1?的Fe时，出现了较强的金属Fe的Fermi边，说明出现了Fe的金属态.此外，在Fe原子吸附过程中，样品功函数在Fe厚度为0.2?时达到最小值4.5eV，偶极层形成后逐渐稳定在4.9eV.     

Surface state on the SiC(0001)-(√3 × √3) surface

An angle resolved photoemission study of a surface state on the SiC(0001)-(√3 × √3) surface is reported. Experiments carried out on the 6H and 4H polytypes give essentially identical results. A surface state band with semiconducting occupation is observed, centered around 1.0 eV above the valence band maximum (VBM) and with a width of about 0.2 eV. Recently calculated results for a Si-adatom-induced √3 × √3 reconstruction give a metallic surface state band centered about 1.2 eV above the VBM and with a width of 0.35 eV. The dispersion determined experimentally is smaller than calculated but exhibits the same trend, the surface state disperses downwards towards the VBM with increasing parallel wavevector component along both the qG--- and qG--- directions of the √3 × √3 surface Brillouin zone. The VBM is determined to be located at about 2.3(±0.2) eV below the Fermi level. The results indicate that Si adatoms on top of an outermost Si---C bilayer may be an inadequate structural model for explaining recent experimental findings for the SiC(0001)-(√3 × √3) surface.     

X-ray diffraction study of Si(111)√3 × √3-Au

The structure of the Si(111)√3 × √3-Au surface has been investigated by the use of the surface X-ray diffraction with synchrotron radiation. The structure perpendicular to the surface was determined with respect to the Si bulk crystal. The results of least-squares analysis indicate that Au atoms are adsorbed on the Si substrate in which the first Si layer is missing. The heights of the Au layer and the Si second layer with respect to the intact Si third layer were estimated to be 3.09 ± 0.03 rA and 2.16 ± 0.10 rA, respectively. A possible model of the surface structure is proposed.     

Fe/ZnO(0001-)界面的同步辐射光电子能谱研究

利用同步辐射光电子能谱研究了Fe／ZnO生长模式、界面化学反应和电子结构．结果表明，Fe在ZnO（0001^-）表面以类SK模式生长（单层加岛状生长）．当沉积约2A的Fe后，生长模式开始从二维层状生长转变成混合模式生长．界面价带谱和Fe3p芯能级谱的分析表明，在低覆盖度下，约有一个原子层（约1．5A）的Fe被ZnO（0001）面的外层0原子氧化，随着沉积厚度的增加，金属态Fe的信号逐渐增强．当吸附了5．1A的Fe时，出现了较强的金属Fe的Fermi边，说明出现了Fe的金属态．此外，在Fe原子吸附过程中，样品功函数在Fe厚度为0．2A时达到最小值4．5．eV，偶极层形成后逐渐稳定在4．9eV．     

Core-level photoemission of the Si(1 1 1)– -Ag surface using synchrotron radiation

The evolution of Si 2p core-level photoemission during a structural conversion from the Si (1 1 1)– -Ag to the Si(1 1 1)– -Ag superstructures induced by Ag adatoms adsorption at 140 K was studied using synchrotron radiation. The component from the top-layer Si-trimer atoms on the former surface was found to split into two components in the latter surface. The result is discussed in terms of a relaxation in some of the Si trimers induced by Ag adatoms sitting on the nearby Ag triangles of the -Ag substrate. The intensity ratio between the split components is a key to exclude some structure models proposed so far for the phases.     

Angle resolved photoemission study of the Ce/Pd(1 1 1) interface

X-ray and UV excitation angle resolved photoemission spectroscopy of ultra-thin films of cerium deposited on a Pd(1 1 1) single-crystal surface has been carried out. Both core level and valence band spectra show a formation of a surface alloy exhibiting d- and f-electron orbital hybridization. An azimuth and polar angle mapping of X-ray excited photoemission intensities results in a surface-geometrical structure information. Mapping of ultra-violet photoelectron intensities as a function of emission angles is used for a band mapping and an electronic structure determination. The d-, f-hybridization occurs even for 0.7 ML of Ce deposited at room temperature. The surface annealing at 260 °C enhances this behavior. A shift of Pd 4d-derived states to higher binding energy in the Ce-Pd systems is observed.     

High resolution XPS studies on hexadecafluoro-copper-phthalocyanine deposited onto Si(1 1 1)7×7 surface

High resolution X-ray photoelectron spectroscopy measurements have been performed onto ultrathin films of hexadecafluoro copper phthalocyanine deposited, at room temperature and in ultrahigh vacuum conditions, onto clean Si(1 1 1)7×7 substrate (silicon, Si). The measurements, performed at various film thicknesses, show a strong interaction between the molecule and the Si substrate. All the core level peaks present strong modifications induced by the substrate interaction. In particular the fluorine (F) spectrum clearly presents the effect of the interaction of some F atoms of the molecule with the substrate, which determines the formation of F–Si bonds while the copper spectrum indicates a charge transfer from the Si substrate. The changes observed in the other core level spectra have been attributed to a different charge distribution in the molecule, after the formation of F–Si bonds. We suggest a planar growth of these molecules on the Si substrate starting from the first layer.     

Formation of a √3 × √3 surface on Si/Ge(1 1 1) studied by STM and LEED

We have performed a detailed study of the formation and the atomic structure of a √3 × √3 surface on Si/Ge(1 1 1) using both scanning tunneling microscopy (STM) and low energy electron diffraction (LEED). Both experimental methods confirm the presence of a √3 × √3 periodicity but unlike the Sn/Ge(1 1 1) and the Sn/Si(1 1 1) surfaces, the Si/Ge(1 1 1) surface is not well ordered. There is no long range order on the surface and the √3 × √3 reconstruction is made up of double rows of silicon atoms separated by disordered areas composed of germanium atoms.     

Electronic structure investigation of the Ag(1 1 0)(n×1)O surfaces––new photoemission results for an old problem

We have used angle-resolved photoelectron spectroscopy to investigate the occupied antibonding electron states of the Ag(1 1 0)(n×1)O surface along different directions in the surface Brillouin zone. We present experimental evidence that several earlier results obtained along (along the Ag–O chains) contain admixtures from contamination, most probably from carbonate-like contributions. New results are obtained along and (perpendicular to the chains). These data indicate that the n=2 structure is stabilized by repulsive electronic interaction between neighbouring chains, which diminishes drastically for n=3 and disappears almost completely at n4. This observation points to a strain field within the substrate which stabilizes the geometry between n=3 (interchain distance 8.7 Å) and n=8 (23.1 Å). Its existence is indirectly seen in the n-dependence of the surface phonon energies at , which can be explained quantitatively by umklapp-processes induced by the lateral periodicity of the strain field. We compare our photoemission results for (2 × 1)O with available surface band structure calculations.     

Experimental determination of valence band offset at PbTe/Ge(1 0 0) interface by synchrotron radiation photoelectron spectroscopy

The band offset at the interface of PbTe/Ge (1 0 0) heterojunction was studied by the synchrotron radiation photoelectron spectroscopy. A valence band offset of ΔE_V = 0.07 ± 0.05 eV, and a conduction band offset of ΔE_C = 0.27 ± 0.05 eV are concluded. The experimental determination of the band offset for the PbTe/Ge interface should be beneficial for the heterojunction to be applied in new optoelectronic and electronic devices.     

Tensor LEED analysis for the electrodeposited Pt(1 1 1)-(3×3)–Ag,I surface structure

A crystallographic analysis is reported using low-energy electron diffraction (LEED) in the tensor LEED approach for the electrodeposited coadsorption (3×3) structure with 4/9 monolayer (ML) of silver and 4/9 ML of iodine on the Pt(1 1 1) surface. The structure approximates a two-layer slice of bulk AgI cut parallel to its (1 1 1) plane and superimposed on the substrate with the Ag atoms in contact with the topmost Pt(1 1 1) layer, and the I atoms forming an overlayer on the Ag atoms. There are two types of Ag atoms in the (3×3) unit mesh; one type bonds to a single Pt atom, while the other type bonds to three Pt atoms. The average Ag–Pt bond distances are close to 2.48 and 2.82 Å respectively for the one and three-coordinate Ag atoms, but both types of Ag atoms bond to three I atoms with an average Ag–I distance of 2.67 Å. No significant corrugation is observed for either the I layer or the Ag layer.     

An investigation of the Si(111)−(√3 × √3)R30°−Ag surface by Li impact collision ion scattering spectroscopy

The Si(111)−(√3 × √3)R30°−Ag surface has been investigated using the technique of Li⁺ impact collision ion scattering spectroscopy. Typical LEED √3 domain sizes were estimated to be on the order of 150 Å for a 1 ML coverage of Ag, with the √3 structure persisting for coverages of Ag up to 35 ML. Silver islanding was found to influence the appearance of the 5 keV Li⁺ ICISS angular scans even for 1 ML coverages of Ag deposited at 480°C. A detailed structural analysis of the Si(111)−√3−Ag surface (0.25 ML deposition) involved the comparison of 5 keV Li⁺ ICISS experimental data along the [11 ], [ 10] and [2 1] azimuths with computer simulations of the scattered ion intensities based on previously proposed models for the √3 surface. Nine structurally different models were tested, and only the missing-top-layer (MTL) and the honeycomb-chained-trimer (HCT) models were found to be consistent with all the experimental results. An estimate of 0.4 Å for the maximum downward vertical displacement of the Ag atoms with resect to the surface Si atoms in the MTL model is made. The effects of increased thermal vibrational amplitude in the simulation of Si---Ag shadowing effects is also discussed. The interpretations of previous noble gas ICISS results are shown to be inconsistent with the present alkali metal ICISS study of the √3 surface.     

Unoccupied band dispersion of Si(1 1 1):√3 × √3-Ag surface studied by time- and angle-resolved two-photon photoemission spectroscopy

Band dispersion and transient population of unoccupied electronic states on Si(1 1 1):√3 × √3-Ag surface have been studied by time-resolved (TR) and angle-resolved (AR) two-photon photoemission (2PPE) spectroscopy. The band dispersions originating from unoccupied electronic states have been identified from the comparison between AR-2PPE spectra and angle-resolved one-photon photoemission spectra with synchrotron radiation. A lifetime of unoccupied surface state has been determined from the TR-2PPE spectra.     

LEED structure determination of the Ni(1 1 1)(√3×√3)R30°-Sn surface

Quantitative low energy electron diffraction has been used to determine the structure of the Ni(1 1 1)(√3×√3)R30°-Sn surface phase. The results confirm that the surface layer comprises a substitutional alloy of composition Ni₂Sn as previously found by low energy ion scattering (LEIS), and also shows that there is no stacking fault at the substrate/alloy interface as has been found in (√3×√3)R30°-Sb surface alloys on Ag and Cu(1 1 1). The surface alloy layer is rumpled with the Sn atoms 0.45 ± 0.03 Å higher above the substrate than the surrounding Ni atoms. This rumpling amplitude is almost identical to that previously reported on the basis of the LEIS study. Comparison with similar results for Sn-induced surface alloy phases on Ni(1 0 0) and Ni(1 1 0) shows a clear trend to reduced rumpling with reduced surface atomic layer density, an effect which can be rationalised in terms of the different effects of valence electron charge smoothing at the surface.     

Surface structures of S/Ni(111) in (√3 × √3 )R30° and (5√3 × 2) phases studied by surface extended X-ray absorption fine structure spectroscopy

The local surface structures of S/Ni(111) in the ( √3 × √3) R30° and (5√3 × 2) phases have been investigated by means of polarization-dependent sulfur K-edge surface EXAFS. In the (√3 × √3 ) R30° phase, sulfur adatoms are found to occupy threefold hollow sites with a S---Ni distance of 2.13 Å and an inclination angle ω of the Sz.sbnd;Ni bonds at 44° from the surface plane. In contrast, in the (5√3 × 2) phase, it is determined that the Sz.sbnd;Ni bond is longer, 2.18 Å, more inclined, ω = 31°, and that the coordination number is not 3 but 4. These results strongly support a picture involving reconstruction of the top nickel layer to form a rectangular structure. Consideration of several models proposed for the (5√3 × 2) phase leads to one which is compatible with both the present results and results recently reported using STM.     

Surface structures of in (√3 × √3 )R30° and (5√3 × 2) phases studied by surface extended X-ray absorption fine structure spectroscopy

The local surface structures of in the ( √3 × √3) R30° and (5√3 × 2) phases have been investigated by means of polarization-dependent sulfur K-edge surface EXAFS. In the (√3 × √3 ) R30° phase, sulfur adatoms are found to occupy threefold hollow sites with a S---Ni distance of 2.13 Å and an inclination angle ω of the Sz.sbnd;Ni bonds at 44° from the surface plane. In contrast, in the (5√3 × 2) phase, it is determined that the Sz.sbnd;Ni bond is longer, 2.18 Å, more inclined, ω = 31°, and that the coordination number is not 3 but 4. These results strongly support a picture involving reconstruction of the top nickel layer to form a rectangular structure. Consideration of several models proposed for the (5√3 × 2) phase leads to one which is compatible with both the present results and results recently reported using STM.     

Electronic structure of 1 ML NTCDA/Ag(1 1 1) studied by photoemission spectroscopy

We performed high-resolution photoemission experiments at different photon energies to investigate the valence band structure of 1 ML of 1,4,5,8-naphthalene tetracarboxylic dianhydride (NTCDA) on Ag(1 1 1). Besides the known occupied molecular orbitals HOMO and HOMO − 1 we observe a new state close to the Fermi level, which results from the interaction between NTCDA and the substrate, partially filling the lowest unoccupied orbital of the free molecule (LUMO) in the monolayer system. By tuning the photon energy through the carbon K-edge, a resonance like change of the spectral intensity at the HOMO and HOMO − 1 energies is clearly revealed, which we use for an assignment of the individual spectral features to a predominant localization either at the naphthalene core or the anhydride group.     

Temperature-dependent surface X-ray diffraction on K/Ag(001)-(2 × 1)

Temperature-dependent surface X-ray diffraction experiments have been performed on the K/Ag(001)-(2 × 1) adsorption system. The structure is characterized by a missing-row geometry in which alternate Ag rows along [1 0] are missing. The K atoms reside within the large grooves coordinated by six Ag atoms at a distance of 3.44(5) Å, corresponding to an effective K-radius of 2.00(5) Å. Large anisotropic disorder is observed for both the K-atoms and the top-layer (“ridge”) Ag atoms. The K-atom displacements are largest in the direction along the grooves, whereas for the Ag atoms the vibrations along [110] are significantly larger. The temperature dependence of the Ag vibrations is in accordance with Debye theory for the [110] direction, but deviates from it for the [1 0] vibrations at high temperature. In contrast to the K-atoms, the out-of-plane vibrations of the top-layer Ag atoms are larger than the in-plane vibrations. The inclusion of anharmonic contributions to describe the Ag disorder significantly improves the fits. It is shown that if anharmonicity is neglected the interlayer contraction is overestimated (Δd₁₂/d₁₂ only −3.2%, instead of −12.7% if anharmonicity is neglected). Due to the anharmonicity, different definitions of the atomic position arise (mean, mode and equilibrium position), which are discussed on the basis of the results.     

Growth of Si nanostructures on Ag(0 0 1)

The first stages of the growth of silicon on Ag(0 0 1) at moderate temperatures start by the formation of a p(3 × 3) superstructure, which continuously evolves with increasing coverage toward a more complex superstructure. In this paper, the atomic arrangement of the p(3 × 3) and of the “complex” superstructure has been investigated using scanning tunnelling microscopy, surface X-ray diffraction and low energy electron diffraction. The atomic model retained for the p(3 × 3) reconstruction consists in four silicon atoms (tetramers) adsorbed near hollow and bridge sites of the top most Ag(0 0 1) surface layer. For higher coverages, i.e., when the “complex” superstructure starts to develop, the silicon overlayer forms periodic stripes, most probably bi-layers, with a graphitic like structure.