Fabrication and scanning tunneling microscopy studies of the Si(1 1 1)-(√31 × √31)-In surface

We report on the fabrication of single phase of the Si(1 1 1)-(√31 × √31)-In reconstruction surface, observed by scanning tunneling microscopy (STM) at room temperature. By depositing specific amounts of indium atoms while heating the Si(1 1 1)-(7 × 7) substrate at a critical temperature, the single phase of Si(1 1 1)-(√31 × √31)-In surfaces could be routinely obtained over the whole surface with large domains. This procedure is certified by our high-resolution STM images in the range of 5-700 nm. Besides, the high resolution STM images of the Si(1 1 1)-(√31 × √31)-In surface were also presented.     

Hydrogen-induced metallization on Ge(1 1 1) c(2 × 8)

We have studied hydrogen adsorption on the Ge(1 1 1) c(2 × 8) surface using scanning tunneling microscopy (STM) and angle-resolved photoelectron spectroscopy (ARPES). We find that atomic hydrogen preferentially adsorbs on rest atom sites. The neighbouring adatoms appear higher in STM images, which clearly indicates a charge transfer from the rest atom states to the adatom states. The surface states near the Fermi-level have been followed by ARPES as function of H exposure. Initially, there is strong emission from the rest atom states but no emission at the Fermi-level which confirms the semiconducting character of the c(2 × 8) surface. With increasing H exposure a structure develops in the close vicinity of the Fermi-level. The energy position clearly indicates a metallic character of the H-adsorbed surface. Since the only change in the STM images is the increased brightness of the adatoms neighbouring a H-terminated rest atom, we identify the emission at the Fermi-level with these adatom states.     

Indium-induced superstructures formed on Si(1 1 0) surfaces

Si(1 1 0) surfaces covered with small amounts of In deposit and then annealed at high temperature were investigated by RHEED, and two kinds of superstructures with A = 3a and B = −a + 4b, and A = 3a − 2b and B = −2a + 4b as primitive translational vectors are reported to form on the surfaces.     

Barrier height imaging of Si(1 1 1)3 × 1-Ag reconstructed surfaces

We investigated the bias voltage polarity dependence of atomically resolved barrier height (BH) images on Si(1 1 1)3 × 1-Ag surfaces. The BH images were very similar to scanning tunneling microscopy (STM) images in both the empty and filled states. This similarity strongly supports the interpretation that the BH image reflects the vertical decay rate of the surface local density of states (LDOS). Differences in contrast and protrusion shapes between BH and STM images were observed. We attributed these differences to the geometric contribution to the STM image and to the improved spatial resolution of the BH image due to the lock-in technique.     

The structural formation of methylthiolate SAMs on Au(1 1 1) for short deposition times from solution

Scanning tunnelling microscopy was used to investigate the structural formation of methylthiolate self-assembled monolayers on Au(1 1 1). SAMs were prepared by exposing the gold crystal to an ethanol-dimethyldisulfide solution for immersion times of 12 min, 12 h, and 24 h. After preparation the formation of a () rect. striped phase was found. For this phase, the immersion time is the key parameter determining the size and number of ordered domains. Annealing induced a phase transition leading to large domains in a (3×4) structure. The annealing temperature determines whether a mixed phase of both structures or only the (3×4) structure are formed. We find no influence of the immersion time on the formation of the second structure. A structure model is presented for both phases on the basis on the same building block containing two methylthiolate molecules and a gold ad-atom.     

Pd adsorption on Si(1 1 3) surface: STM and XPS study

Pd-induced surface structures on Si(1 1 3) have been studied by scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS). In the initial process of the Pd adsorption below 0.10 ML, Pd silicide (Pd₂Si) clusters are observed to form randomly on the surface. By increasing the Pd coverage to 0.10 ML, the clusters cover the entire surface, and an amorphous layer is formed. After annealing the Si(1 1 3)-Pd surface at 600 °C, various types of islands and chain protrusions appears. The agglomeration, coalescence and crystallization of these islands are observed by using high temperature (HT-) STM. It is also found by XPS that the islands correspond to Pd₂Si structure. On the basis of these results, evolution of Pd-induced structures at high temperatures is in detail discussed.     

Study of the surface structure of Si(1 1 1)-6 × 1(3 × 1)-Ag using X-ray crystal truncation rod scattering

The structure of the Si(1 1 1)-6 × 1-Ag surface is investigated using crystal truncation rod (CTR) scattering along 00 rod. For the measurement, we developed a manipulator suitable for observing CTR scattering at large momentum transfer perpendicular to the surface. The heights of the silver and reconstructed silicon atoms from the substrate were determined. We also compared the obtained positions with those of the Si(1 1 1)-√3 × √3-Ag surface and found that the heights of those reconstructed atoms are almost the same.     

Adsorption of cobalt phthalocyanine on a Si(1 0 0) surface with Bi-line structures as evaluated by scanning tunneling microscopy

We report the reaction dynamics of cobalt phthalocyanine (CoPc) molecules with Bi-line structures (BLSs) on a Si(1 0 0) surface, investigated using scanning tunneling microscopy (STM). When CoPc molecules were deposited on a Si(1 0 0) surface with BLSs at room temperature, single-spot protrusions were observed in the STM image instead of four-spot images corresponding to CoPcs flat molecular structure. Moreover, domains with a c(4 × 4) periodicity appeared on the terraces of the Si(1 0 0) surface. This indicates that CoPc molecules may have decomposed on the surface by catalytic reaction with Bi atoms.     

STM study of the initial stages of C60 adsorption on the Pt(1 1 0)-(1 × 2) surface

We have studied the initial stages of adsorption of C₆₀ on the Pt (1 1 0)-(1 × 2) surface by means of STM. At room temperature, fullerene molecules adsorb in the troughs between two adjacent Pt rows of the missing row reconstruction. Mobility over the terraces is negligible, denoting strong bonding with the surface, also testified by a well-defined orientation of fullerene monomers with respect to the substrate. Upon annealing at 750 K, molecular migration towards kinks and step edges occurs, where small islands nucleation begins. A commensurate registry with the substrate is maintained by small (5-10 molecules) C₆₀ aggregates, leading to expanded nearest-neighbour distances with respect to those found in hexagonal close packed fullerene ad-islands grown on other metallic substrates.     

Adsorption of Al on the Si(0 0 1) surface

The first-principles calculations have been presented to study the adsorption of aluminum (Al) on the Si(0 0 1)(2×1) surface. We have investigated the optimized geometries and electronic structures of the adatom-substrate system. The adsorption energy of the system has been calculated. The most stable adsorption sites were consequently determined to be HH site and T3+T4. It is shown that the Si-Si dimer is asymmetric on the reconstructed bare surface and become symmetric upon Al adsorption. In addition, the bond length of Si-Si was found to be considerably elongated in the adsorption system. It is found that the work function change obtained in our work is different from other previous results on the adsorption of alkali metals on the Si(0 0 1) surface. In order to investigate the relative stability of phases at different coverages, the surface formation energy of the adsorption system was calculated. To shed light on the nature of the Al-Si bond and the character of silicon surface, the density of states (DOS) and difference charge density of the system were evaluated.     

Quasi-one-dimensional structures on the Si(1 1 1) surface induced by Ba adsorption

Ba-induced quasi-one-dimensional reconstructions of the Si(1 1 1) surface have been investigated by low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). While the 3 × ‘2’ surface shows double-periodicity along the stripes in STM images consistent with half-order streaks observed in LEED patterns, no sign of the double-periodicity along the chain direction was detected for the 5 × 1 surface. The 5× stripes in STM images show internal structures with multiple rows. The two rows comprising the boundaries of a 5× stripe in the filled-state STM image are found to have 3a × √3/2 spacing across the stripe. The observation of the successive 3× and 2× spacings between the boundary rows supports a structural model proposed for the Ba-induced 5 × 1 Si reconstruction composed of honeycomb chains and Seiwatz chains. The highest coverage 2 × 8 surface does not reveal a quasi-1D row structure in STM images.     

Stable reconstruction and adsorbates of InAs(1 1 1)A surface

We investigated the surface properties of InAs(1 1 1)A by low-temperature scanning tunneling microscopy (LT-STM) with atomic resolution and first-principles calculation. Very clear atom image was observed, showing that the surface reconstruction is an In-vacancy structure. We also observed two kinds of adsorbates on the surface. The first-principles calculations indicate that the In-vacancy structure is the most stable surface reconstruction under any experimental conditions, which is consistent with the LT-STM observation. Investigations of adsorption properties of an In atom, an As atom, and an As₂ molecule by the first-principles calculations imply that the observed adsorbates are an In atom and an As₂ molecule.     

The gold and oxygen (3 × 1) structures on W(1 1 2)

The adsorption of two very different adsorbates, gold and oxygen, induce the formation of a (3 × 1) surface structure on both W(1 1 2) and Mo(1 1 2). In spite of similar adsorbate unit cells, the surface electronic structure, derived from photoemission, exhibits pronounced differences for the two adsorbates. Indeed, both experiment and simulations indicate substantial changes in electronic structures of (1 × 1) and (3 × 1) gold overlayers supported by highly anisotropic (1 1 2) plane. We speculate that (3 × 1) is a favored periodicity in the atomic rearrangement of the (1 1 2) surfaces of molybdenum and tungsten due in part as a result of the initial state band structure of these surfaces.     

Surface treatments toward obtaining clean GaN(0 0 0 1) from commercial hydride vapor phase epitaxy and metal-organic chemical vapor deposition substrates in ultrahigh vacuum

We studied processes of cleaning GaN(0 0 0 1) surfaces on four different types of wafers: two types were hydride vapor phase epitaxy (HVPE) free-standing substrates and two types were metal-organic chemical vapor deposition (MOCVD) films grown on these HVPE substrates and prepared by annealing and/or Ar ion sputtering in ultra high vacuum. We observed the surfaces through treatments using in situ low-energy electron diffraction (LEED), reflection high-energy electron diffraction (RHEED), scanning tunneling microscopy (STM), and Auger electron spectroscopy, and also using ex situ temperature programmed desorption, X-ray photoelectron spectroscopy, X-ray diffraction, and secondary ion mass spectrometry. For HVPE samples, we obtained relatively clean surfaces under optimized three-step annealing conditions (200 °C for 12 h + 400 °C for 1 h + 500 °C for 5 min) without sputtering, after which the surface contamination of oxide and carbide was reduced to ∼20% of that before annealing. Clear GaN(0 0 0 1)1×1 patterns were obtained by LEED and RHEED. STM images showed flat terraces of ∼10 nm size and steps of ∼0.5 nm height. Upon annealing the HVPE-GaN samples at a much higher temperature (C), three-dimensional (3D) islands with facets were formed and the surface stoichiometry was broken down with the desorption of nitrogen in the form of ammonia, since the samples include hydrogen as an impurity. Ar⁺ sputtering was effective for removing surface contamination, however, postannealing could not recover the surface roughness but promoted the formation of 3D islands on the surface. For MOCVD/HVPE homoepitaxial samples, the surfaces are terminated by hydrogen and the as-introduced samples showed a clear 1×1 structure. Upon annealing at 500-600 °C, the surface hydrogen was removed and a 3×3 reconstruction structure partially appeared, although a 1×1 structure was dominant. We summarize the structure differences among the samples under the same treatment and clarify the effect of crystal quality, such as dislocations, the concentration of hydrogen impurities, and the residual reactant molecules in GaN films, on the surface structure.     

Atomic structure of the carbon induced Si(0 0 1)-c(4 × 4) surface

The atomic and electronic structures of the Si(0 0 1)-c(4 × 4) surface have been studied by scanning tunneling microscopy (STM) and density functional theory (DFT). To explain the experimental bias dependent STM observations, a modified mixed ad-dimer reconstruction model is introduced. The model involves three tilted Si dimers and a carbon atom incorporated into the third subsurface layer per c(4 × 4) unit cell. The calculated STM images show a close resemblance to the experimental ones.     

Growth of Ag thin films on ZnO(0 0 0 −1) investigated by AES and STM

The growth of Ag films on ZnO(0 0 0 −1) has been investigated by Auger electron spectroscopy (AES) and scanning tunneling microscopy (STM). A high density of islands is nucleated at the earliest stages of the growth. An upstepping mechanism causes these islands to coalesce while the uncovered fraction of the ZnO surface remains constant (30%).     

First-principles calculations of ethanethiol adsorption and decomposition on GaN (0 0 0 1) surface

The adsorption and decomposition of ethanethiol on GaN (0 0 0 1) surface have been investigated with first-principles calculations. The DFT calculations reveal that ethanethiol adsorbs dissociatively on the clean GaN (0 0 0 1) surface to form ethanethiolate and hydrogen species. An up limit coverage of 0.33 for ethanethiolate monolayer on GaN (0 0 0 1) surface is obtained and the position of the sulfur atom and the tilt angle of the thiolate chain are found to be very sensitive to the surface coverage. Furthermore, the reactivity of ethanethiol adsorption and further thermal decomposition reactions on GaN (0 0 0 1) surface is discussed by calculating the possible reaction pathways and ethene is found to be the major product.     

Observation of Si(1 0 0) surfaces annealed in hydrogen gas ambient by scanning tunneling microscopy

We investigated the cleaning process of Si(1 0 0) surfaces by annealing in H₂ gas ambient following chemical treatments by scanning tunneling microscopy. We observed the monohydride Si structure: Si(1 0 0):2 × 1-H on the surfaces annealed at 1000 °C in 2.5 × 10⁴ Pa H₂ gas ambient without conspicuous contaminants. On the sample annealed for 10 min or longer times, well-defined Si(1 0 0) structures with alternating S_A and S_B steps were observed, whereas the initial roughness still remained on the surfaces annealed for only 5 min.     

Modelling of phase transitions and reaction at CO adsorption on oxygen precovered Pd(1 1 1)

Using the interaction parameters up to the third neighbors and activated form of O and CO diffusion and their reaction, the model has been proposed for Monte-Carlo simulations describing the catalytic O + CO → CO₂ reaction and occurring phase transitions on Pd(1 1 1) surface. Upon adsorption of CO the pre-adsorbed oxygen transforms from p(2 × 2)_O phase into and phases in the limit of room and moderate temperatures, respectively. We demonstrate that the kinetic effects determine both the occurrence of the p(2 × 1)_O and disappearance of the phases at moderate and low temperatures, respectively. Using reaction rate as a fit parameter, we show that at room temperature the start of the reaction can be synchronized with the occurrence of phase.     

Morphology of pentacene films deposited on Cu(1 1 9) vicinal surface

We investigate the morphology of a pentacene (C₂₂H₁₄) film adsorbed on the Cu(1 1 9) vicinal surface by scanning tunnelling microscopy (STM). Thermal treatment of a thick film of molecules generates a long-range ordered structure. Series of molecular rows are alternated with areas where the molecules assume two equivalent orientations. STM data analysis suggests that the ordered structure can be described by a rippled morphology. The behaviour of the film at different annealing temperatures suggests a possible explanation of the film structure as due to an adsorbate-induced modification of the substrate.