Metastable (1 × 2) and (1 × 3) reconstructions of Pd(110)

By adsorption and subsequent reduction of oxygen on Pd(110), metastable (1 × 2) and (1 × 3) reconstructed surfaces have been produced. Oxygen was not present after the reduction but a small amount of residual hydrogen (< 0.15 monolayers) remained. However this is not the origin of the reconstruction as adsorption of this amount of hydrogen on the clean surface did not cause reconstruction. The structures were stable up to ˜ 370 K, and at higher temperatures they reverted to (1 × 1). These results are compared with Rh(110) where similar reconstructions have been found.     

Surface structure evolution during Sb adsorption on Si(1 1 1)–In(4×1) reconstruction

The Sb adsorption process on the Si(1 1 1)–In(4×1) surface phase was studied in the temperature range 200–400 °C. The formation of a Si(1 1 1)–InSb (2×2) structure was observed between 0.5 and 0.7 ML of Sb. This reconstruction decomposes when the Sb coverage approaches 1 ML and Sb atoms rearrange to and (2×1) reconstructions; released In atoms agglomerate into islands of irregular shapes. During the phase transition process from InSb(2×2) to Sb (θ_Sb>0.7 ML), we observed the formation of a metastable (4×2) structure. Possible atomic arrangements of the InSb(2×2) and metastable (4×2) phases were discussed.     

Atomic structure of the Si(103)1 × 1-In surface

To test the model that was originally proposed for the Si(103)1 × 1-Al facets and was later on tested with STM to be correct for the Ge(103)1 × 1-In facets, in the present paper we have studied the Si(103)1 × 1-In surface by means of the QKLEED/CMTA technique. A unit cell of the model consists of an indium atom, which sits in an adatom position and forms three sp²-like bonds with bulk silicon atoms, and a surface silicon atom with a dangling bond. The model has passed the QKLEED/CMTA test and the best parameters of it have been obtained. It has been noticed in the experiment that the clean Si(103) surface has a surprisingly high thermal stability.     

A comparative infrared study of H2O reactivity on Si(1 0 0)-(2 × 1), (2 × 1)-H, (1 × 1)-H and (3 × 1)-H surfaces

The water adsorption on the bare and H-terminated Si(1 0 0) surfaces has been studied by the BML-IRRAS technique. It is found that H-terminated surfaces are much less reactive compared to the bare silicon surfaces. The (1 × 1)-H and (3 × 1)-H surfaces show similar and less reactivity pattern compared to the (2 × 1)-H surface. At higher exposures, the water reaction with coupled monohydride species provides an effective channel for oxygen insertion into the back bonds of dihydride species. It is not attributed to the H–Si–Si–H + H₂O → H–S–Si–OH + H₂, which could give rise to the characteristic Si–H and Si–OH modes, respectively at 2081 and 921 cm⁻¹. A more suitable reaction mechanism involving a metastable species, H–Si–Si–H + H₂O → H₂Si  HO–Si–H (metastable) explains well the bending modes of oxygen inserted silicon dihydride species which are observed relatively strongly in the reaction of water with H-terminated Si(1 0 0) surfaces.     

In situ monitoring of the c( 4 × 4) to the 2 × 4 surface phase transformation on GaAs(001) by grazing incidence X-ray diffraction

The transition between the arsenic saturated c(4 × 4) and the As stabilised 2 × 4 reconstructed GaAs(001) surfaces has been followed in situ on a UHV grazing incidence X-ray diffractometer stage. X-ray diffraction lines specific of either structure have been recorded as a function of temperature. The intensity and lineshape evolution has enabled to propose a model for the transformation involving a homogeneous disordering of the c(4 × 4) surface through random As desorption followed by nucleation and growth of 2 × 4 domains. Under UHV conditions, the irreversible transition is observed over a temperature interval ranging from 330°C to 380°C.     

Baryon number generation in a flipped SU(5) × U(1) model

We consider the possibilities for generating a baryon asymmetry in the early universe in a flipped SU(5) × U(1) model inspired by the superstring. Depending on the temperature of the radiation background after inflation we can distinguish between two scenarios for baryogenesis: (1) after reheating the original SU(5) × U(1) symmetry is restored, or there was no inflation at all; (2) reheating after inflation is rather weak and SU(5) × U(1) is broken. In either case the asymmetry is generated by the out-of-equilibrium decays of a massive SU(3) × SU(2) × U(1) singlet field φ_m. In the flipped SU(5) × U(1) model, gauge symmetry breaking is triggered by strong coupling phenomena, and is in general accompanied by the production of entropy. We examine constraints on the reheating temperature and the strong coupling scale in each of the scenarios.     

A new solution of d = 11 supergravity with internal isometry group SU(3) × SU(2) × U(1)

A new solution of the bosonic sector of D = 11 supergravity is presented in which the internal space has the topology CP² × S² × S¹ and the internal isometry group is SU(3) × SU(2) × U(1).     

ESDIAD studies of the structure of TiO2(110)(1 × 1) and (1 × 2) surfaces and interfaces in conjunction with LEED and STM

The TiO₂(110)-(1 × 1) surface and its reconstruction as a (1 × 2) form have been studied with low energy electron diffraction (LEED), electron stimulated desorption ion angular distribution (ESDIAD) and scanning tunnelling microscopy (STM). Oxygen ion desorption occurs within a lobe perpendicular to the (1 × 1) surface, changing to two off-normal lobes for the (1 × 2) reconstruction. This transformation in the ESDIAD pattern is consistent with the added Ti₂O₃ row model of the (1 × 2) reconstruction proposed by Onishi and Iwasawa. STM studies of the stoichiometric and electron irradiated surfaces reinforce the association of the O⁺ ESD contribution with majority sites at the surface. Adsorption of acetic acid on the (1 × 1) surface produces a (2 × 1) overlayed and induces a reconstruction of the underlying substrate. ESDIAD reveals H⁺ ions emitted off-normally from dissociatively adsorbed acetate, and along the surface normal from surface hydroxyls. Adsorption of acetic acid on the (1 × 2) surface does not modify the LEED pattern, but ESDIAD reveals H⁺ desorption with a weaker off-normal contribution consistent with the Ti₂O₃ model of the reconstruction.     

Catalytic dehydrogenation and thermal chemistry of cyclohexene and 1-methyl-1,4-cyclohexadiene on Si(111)7 × 7

Recently, we reported a thermal desorption study on the evolution of an intense mass 78 profile for the room-temperature exposure of cyclohexene to Si(111)7 × 7 surface, which was believed to give rise to the formation of benzene by a surface dehydrogenation reaction. Because mass 78 was also found to be the base ion in the gas-phase cracking patterns of both 1,3- and 1,4-cyclohexadiene, the dehydrogenation of cyclohexene on clean, sputtered and oxidized Si(111)7 × 7 surfaces has been re-examined in order to determine the origin of the intense mass 78 desorption profile; i.e. whether it was in fact due to the evolution of benzene or cyclohexadiene, or both. Moreover, a similar dehydrogenation reaction giving rise to toluene desorption between 350 and 600 K has been observed for the room-temperature exposure of 1-methyl-1,4-cyclohexadiene to clean and sputtered Si(111)7 × 7 surfaces. The effects of methyl substitution on the reactivity of these cyclic olefins towards Si(111)7 × 7 can be inferred from these studies. Furthermore, the catalytic activity of Si(111)7 × 7 was found to be enhanced significantly by extending the thermal desorption cycles to a higher temperature of 925 K. The dehydrogenation of these olefins on Si(111)7 × 7 also gave rise to a unique 7 × 1 low energy electron diffraction pattern. Possible factors that may play a role in any proposed model for the dehydrogenation reaction are discussed. Finally, evidence of other surface reactions including cyclohexene hydrogénation to cyclohexane will also be presented.     

Reconstruction of the Ir(110) surface: A mixed faceted (1 × 3) and (1 × 1) structure

Time-of-flight scattering and recoiling spectrometry (TOF-SARS) has been used to show that the reconstructed Ir(110) surface, following annealing to 1400 ° C, consists primarily of domains of faceted (1 × 3) structures (with two missing first-layer rows and one missing second-layer row); the data are consistent with secondary domains of (1 × 1) structures (with no missing rows). This structure is determined from scans of (i) backscattering (BS) versus incidence angle , (ii) forwardscattering (FS) versus , and (iii) FS versus scattering angle Θ.     

A novel (8 × 4) superstructure as precursor to the c(4 × 4) phase during Sb/Si(0 0 1) desorption

The role of kinetics in the superstructure formation of the Sb/Si(0 0 1) system is studied using in situ surface sensitive techniques such as low energy electron diffraction, Auger electron spectroscopy and electron energy loss spectroscopy. Sb adsorbs epitaxially at room-temperature on a double-domain (DD) 2 × 1 reconstructed Si(0 0 1) surface at a flux rate of 0.06 ML/min. During desorption, multilayer Sb agglomerates on a stable Sb monolayer (ML) in a DD (2 × 1) phase before desorbing. The stable monolayer desorbs in the 600–850 °C temperature range, yielding DD (2 × 1), (8 × 4), c(4 × 4), DD (2 × 1) phases before retrieving the clean Si(0 0 1)-DD (2 × 1) surface. The stable 0.6-ML (8 × 4) phase here is a precursor phase to the recently reported 0.25-ML c(4 × 4) surface phase, and is reported for the first time.     

Photon-stimulated desorption of methanol on Si(111)7 × 7 and Si(100)2 × 1 at the C 1s and O 1s thresholds

Photostimulated desorption experiments have been performed on deuterated methanol adsorbed on Si(111)7 × 7 and Si(100)2 × 1 at the C 1s and O 1s thresholds. D⁺ and the masses of the series CD⁺_x are produced in the photofragmentation process in both energy ranges. A comparison has been made with the photofragmentation spectra of methanol in the gas phase and two different desorption mechanisms have been hypothesized for the desorption of D⁺ and higher masses from the silicon surfaces at the C 1s threshold.     

Computational study of cycloaddition reactions on the SiC(1 0 0)-c(2 × 2) surface

Cycloaddition reactions between 1,3-butadiene and the C-terminated SiC(1 0 0)-c(2 × 2) surface have been addressed using quantum-chemical methods. The c(2 × 2) structure consists of ---CC--- bridges between underlayer Si atoms which themselves form Si---Si bonds. Of various possible reaction products, the one formed by a [2 + 4] reaction with the ---CC--- bridge (giving a species resembling 1,4-cyclohexadiene) is the lowest in energy. Density functional calculations for the bare c(2 × 2) surface, using a cluster model with mechanical embedding, gave good agreement with structural parameters obtained in previous fully ab initio studies. Similar calculations for the cycloaddition product and for the transition state gave a reaction energy of −50.3 kcal/mol and an activation energy of +6.1 kcal/mol to form a planar ring structure lying normal to the surface. Detailed results for the frequency and infrared polarization behavior of adsorbate vibrational modes have also been obtained.     

Evidence for two-step disordering of the Au(110)−:1 × 2 reconstructed surface

We present the results of a synchrotron X-ray scattering study of the thermal disordering of the Au(110)−1 × 2 reconstructed surface. Observing the temperature dependence of the in-plane superlattice and integral-order surface peaks, as well as the (ll0) specular reflectivity, we find that at T_c = 735 K the 1 × 2 surface undergoes a reversible deconstruction transition characterized by a proliferation of compact antiphase defects with no measurable change in the density of surface steps. This transition is described by critical exponents close to those characterizing a two-dimensional Ising transition. We also find that by 784 K there has been a significant increase in the density of surface steps of the type associated with surface roughening. This suggests that the Au(110) surface disorders in a two-step process, deconstruction followed by roughening, with a difference in the two transition temperatures of less than 50 K.     

X-ray and electron beam modification of thiophene overlayers on TiO2(100)1 × 1 and 1 × 3

The effects of electron and X-ray beams on thiophene overlayers on TiO₂(100) 1 × 1 and 1 × 3 surfaces have been investigated using AES, UPS and XPS. Mg K X-rays were found to polymerise a thiophene multilayer condensed at 120 K. The evidence points to a substrate-secondary-electron mediated process. A 3 keV electron beam also modifies a condensed thiophene overlayer, probably by polymerisation.     

An STM investigation of the Cu(110)−c(6 × 2)O system

The formation of the c(6 × 2)−O phase on a Cu(110) surface, after completion of the (2 × 1)−O structure, was observed by scanning tunneling microscopy (STM). The phase is composed of isotropic structural elements on fourfold hollow sites of the substrate lattice, which form a quasi-hexagonal array and manifest themselves as large protrusions in the STM images. Individual units of this type are mobile and also represent stable nuclei within a (2 × 1) surrounding. Nucleation is activated and occurs preferentially at steps, in contrast to previous findings with the (2 × 1) phase. Structural implications of additional weak features in high resolution images and of the observed change in two-dimensional density of Cu atoms are discussed.     

Covalent binding of cyclohexene, 1,3-cyclohexadiene and 1,4-cyclohexadiene on Si(1 1 1)-7 × 7

The adsorption reactions and binding configurations of cyclohexene, 1,3-cyclohexadiene and 1,4-cyclohexadiene on Si(1 1 1)-7 × 7 were studied using high-resolution electron energy loss spectroscopy (HREELS), ultraviolet photoelectron spectroscopy (UPS), X-ray photoelectron spectroscopy (XPS) and DFT calculation. The covalent attachments of these unsaturated hydrocarbons to Si(1 1 1)-7 × 7 through the formation of Si–C linkages are clearly demonstrated by the observation of the Si–C stretching mode at 450–500 cm⁻¹ in their HREELS spectra. For chemisorbed cyclohexene, the involvement of π_C=C in binding is further supported by the absence of C=C stretching modes and the disappearance of the π_C=C photoemission. The chemisorption of both 1,3-cyclohexadiene and 1,4-cyclohexadiene leads to the formation of cyclohexene-like intermediates through di-σ bonding. The existence of one π_C=C bond in their chemisorbed states is confirmed by the observation of the C=C and (sp²)C---H stretching modes and the UPS and XPS results. DFT calculations show that [4 + 2]-like cycloaddition is thermodynamically preferred for 1,3-cyclohexadiene on Si(1 1 1)-7 × 7, but a [2 + 2]-like reaction mechanism is proposed for the covalent attachment of cyclohexene and 1,4-cyclohexadiene.     

Specific scalar mass relations in SU(3) × SU(2) × U(1) orbifold model

We study flat directions and soft scalar masses using a Z₃ orbifold model with SU(3) × SU(2) × U(1) gauge group and extra gauge symmetries including an anomalous U(1) symmetry. Soft scalar masses contain D-term contributions and particle mixing effects after symmetry breaking and they are parametrized by a few parameters. Some specific relations among scalar masses are obtained.     

M-theory on AdS4 × M: the complete Osp(2|4) × SU(3) × SU(2) spectrum from harmonic analysis

We reconsider the Kaluza-Klein compactifications of D = 11 supergravity on AdS₄ × (G/H)₇ manifolds that were classified in the eighties, in the modern perspective of AdS₄/CFT₃ correspondence. We focus on one of the three N = 2 cases: (G/H)₇ = M¹¹¹ = SU(3) × SU(2) × U(1) /SU(2) × U(1)′ × U(1)′'. Relying on the systematic use of the harmonic analysis techniques developed in the eighties by one of us (P. Fré) with R. D'Auria, we derive the complete spectrum of long, short and massless Osp(2|4) × SU(3) × SU(2) unitary irreducible representations obtained in this compactification. Our result also provides a general scheme for the other N = 2 compactifications. Furthermore, it is a necessary comparison term in the AdS₄/CFT₃ correspondence: the complete AdS/CFT match of the spectra that we obtain will provide a much more stringent proof of the ACS/CFT correspondence than in the S⁷ case, since the structure of the superconformal field theory on the M2-brane world volume must be such as to reproduce, at the level of composite operators, the flavor group representations, the conformal dimensions and the hyperchanges that we obtain in the present article. The investigation of this match is left to future publications. Here we provide an exhaustive construction of the Kaluza-Klein side of our spectroscopy.     

Adsorption mode change from adlayer- to restructuring-type with increasing coverage, evidenced by structural determination of c(2 × 2)→(4 × 4)→(5 × 5) sequence formed on Ni(001) by Li deposition

We determined surface structures in a structural sequence c(2 × 2)→(4 × 4)→(5 × 5) formed on Ni(001) at 370 K with increasing Li coverage by a dynamical low-energy electron diffraction analysis. The (4 × 4) and (5 × 5) are complex surface-structures involving restructuring of substrate surface atoms, and are analogous to the previously determined (3 × 3) and (4 × 4) structures formed for Li/Cu(001). The c(2 × 2) at low coverages is a Li adlayer, so a change of the adsorption mode from adlayer- to restructuring-type is evidenced in the course of increasing coverage within a monolayer range.