Phase transitions on clean Si(110) surfaces

The properties of the structure of clean Si(110) surfaces have been investigated by LEED. The phase transitions between surface structures Si(110)?(4 × 5), Si(110)?(2 × 1) and Si(110)(5 × 1) take place at about 600 and 750°C. The time of reconstruction from the high temperature phase to the low temperature phase may exceed the time of the sample cooling. That explains why the Si(110)?(2 × 1) and the Si(110)?(5 × 1) superstructures may be seen at room temperature. Surface defects favour the retaining of high temperature phases on the surface at room temperature. The transition from the Si(110)?(5 × 1) structure to the Si(110)?(2× 1) structure and conversely in the temperature range of 720–750°C apparently occurs through formation of the intermediate structures Si(110)?(7 × 1) and Si(110)?(9 × 1). The models are given of superstructures observed by LEED.     

Diffuse LEED intensities of disordered crystal surfaces: III. LEED investigation of the disordered (110) surface of gold

The LEED pattern of clean (101) surfaces of Au show a characteristic (1 × 2) superstructure. The diffuseness of reflections in the reciprocal [010] direction is caused by one-dimensional disorder of chains, strictly ordered into spatial [101̄] direction. There is a transition from this disordered superstructure to the normal (1 × 1) structure at 420 + 15°C. The angular profiles of the $\text{(0}\text{1}\text{2}\text{)}$ and (01) beam are measured at various temperatures and with constant energy and angles of incidence of the primary beam. The beam profiles are deconvoluted approximately with the instrument response function.     

A LEED investigation of Xe adsorption on W(110)

Four ordered LEED patterns are observed for Xe adsorption on W(110) for temperatures between 77 and 90 K. A (2 × 2) structure with an area per Xe atom of 28.3 Ų is transformed into two coincidence structures which correspond to a disordered (100) Xe layer. The area per Xe atom in these structures is 17.6 and 20.2 Ų. Xe adsorption on oxygen covered W(110) leads to one-dimensional disorder in the structures observed on clean W(110) without the formation of new structures.     

LEED crystallographic investigation of ultrathin films formed by deposition of Sn on the Pt(111) surface

Deposition of Sn on the Pt(111) surface followed by annealing at 1000 K leads to the formation of ordered phases showing (2 × 2 and ( LEED patterns, depending on the surface coverage of Sn. Both these phases were studied by LEED dynamical analysis. The best agreement between experimental and calculated I–V curves was obtained by means of models based on the formation of mixed Pt-Sn layers on the surface where Pt and Sn atoms are nearly coplanar with a slight upward buckling of Sn atoms. The structures of these phases are similar to those already observed for the Pt₃Sn(111) surface.     

Structure determination of the clean Co(112̄0) surface by LEED

The atomic structure of the (112&#x0304;0) surface of cobalt has been determined by LEED using six intensity spectra at normal incidence. The surface exhibits the truncated bulk structure with a contraction of the first interlayer spacing by about 8.5% with respect to the bulk value. Quantitative evaluation of the LEED spectra was done using Zanazzi and Jona's and Pendry's r-factors. The minimum averaged r-factors are $\text{r}{}_{\mathrm{<mtext>ZJ</mtext>}}\text{= 0.09}$ and $\text{r}{}_{\mathrm{<mtext>P</mtext>}}\text{= 0.22}$. No change of the interatomic distances within the plane could be detected and no rearrangement of the surface structure takes place up to temperatures shortly below the transition temperature.     

Reflectometric study of surface states and oxygen adsorption on clean Si(100) and (110) surfaces

External differential reflection measurements were carried out on clean Si(100) and (110) surfaces in the photon energy range of 1.0 to 3.0 eV at 300 and 80 K. The results for Si(100) at 300 K showed two peaks in the joint density of states curve, which sharpened at 80 K. One peak at 3.0 ± 0.2 eV can be attributed to optical transitions from a filled surface states band near the top of the valence band to empty bulk conduction band levels. The other peak at 1.60 ± 0.05 eV may be attributed to transitions to an empty surface states band in the energy gap. This result favours the asymmetric dimer model for the Si(100) surface. For the (110) surface at 300 K only one peak was found at 3.0 ± 0.2 eV. At 80 K the peak height diminished by a factor of two. Oxygen adsorption in the submonolayer region on the clean Si(100) surface appeared to proceed in a similar way as on the Si(111) 7 × 7 surface. For the Si(110) surface the kinetics of the adsorption process at 80 K deviated clearly. The binding state of oxygen on this surface at 80 K appeared to be different from that on the same surface at 300 K.     

The surface structure of Si(100) surfaces using averaged LEED: II. The (2×1) clean surface structure

Constant momentum transfer averaged LEED data from a Si(100) (2 × 1) clean surface structure have been produced for the $\text{(00), (10), (11), (}\text{1}\text{2}\text{0)}$ and $\text{(1}\text{1}\text{2}\text{)}$ beams. All averages show strong features in addition to those attributable to single scattering from the bulk. If this structure is assumed to also originate from single scattering, the surface reconstruction must be deep (>^～4 layers). Alternatively this structure can be ascribed to multiple scattering. As data from the Si(100) (1 × 1)H surface structure produced “good” averaging over an identical range of data, this latter conclusion has considerable bearing on the future usefulness of this averaging approach to surface structure analysis by LEED.     

Formation of carbon composite structures on the Ge(110) surfaces

We present our first-principles calculation of the adsorption and diffusion of a carbon adatom on the H-terminated and clean Ge(110) surfaces, which are essential processes in the nucleation and growth of a monolayer graphene on Ge(110) by chemical vapor deposition. On the H-terminated surface, the C adatom spontaneously substitutes H atom(s) to form a monohydride structure (CH) or a dihydride structure (CH₂) and makes direct bonds with the substrate Ge atoms. The resulting diffusion barriers of the C adatom are 2.67 and 6.45 eV parallel to and perpendicular to the zigzag Ge chains of the surface, respectively. On the clean surface, the C adatom embeds into the zigzag Ge chain with nearly no barrier, kicking out a Ge atom out of the chain at the same time. The kicked-out Ge atom, instead of the C adatom, becomes a diffusion species with the barrier less than 0.63 eV. The formation of the C composite structures makes the C adatom difficult to diffuse both on the H-terminated and clean Ge(110) surfaces, which suggests that the nucleation and growth of the graphene islands from C seeds is much suppressed. We propose a growth mechanism of graphene monolayer going round the diffusion of the C adatoms on the Ge(110) surfaces.     

Adsorption of ethylene on clean and oxygen precovered Cu(110) surfaces

UV photoemission spectroscopy (UPS) with He I and He II radiation is used to study the interaction of C₂H₄ with clean and oxygen precovered Cu(110) surfaces at 90 K. On the clean surface only-bonding of the C₂H₄ molecules is observed whereas preadsorbed oxygen causes a second molecular orbital to be involved in the chemisorption. This result is consistent with the differing behaviour of the work function change during thermal desorption of C₂H₄.     

ESDIAD and LEED studies of the clean TiO2(100) surface

Electron-stimulated desorption ion angular distribution (ESDIAD) and LEED were used to investigate the structure changes at the TiO₂(100) surface. The angular distribution of O⁺ ions from the (1 × 3) reconstructed surface is consistent with the microfacet model proposed from X-ray diffraction and STM studies. The (1 × 3) reconstructed surface can be transferred back to the (1 × 1) surface after annealing at 950 K in oxygen, through a stage where the surface consists of (1 × 1) and (1 × 3) domains which are smaller than the coherent width of the LEED electron beam. Evidence for surface reconstruction on the (1 × 1) surface is also found.     

LEED study of the Pt(110)-(1 × 2) surface

The results of a quantitative LEED study of the clean, reconstructed Pt(110)-(1 × 2) surface are described, in which experimental intensity-energy spectra for ten diffracted beams have been compared, by an γ-factor analysis, to intensity spectra calculated using a dynamic theory for various structural models. Despite considerable effort in ensuring the reliability of the experimental and calculated intensities, a satisfactory level of agreement has not been achieved for any of the model structures considered although a “missing-row” model leads to the closest agreement between experimental and calculated intensities.     

Oxygen adsorption on Ge(111) surface: I. Atomic clean surface

Oxygen adsorption on a clean Ge(111) surface has been studied in the temperature range 300–560 K by means of Auger electron spectroscopy (AES), thermal desorption (TD), work function (WF) measurements, and electron energy loss spectroscopy (ELS). The adsorption and WF kinetics at 300 K exhibit a shape different from those observed at higher adsorption temperatures. At 300 K oxygen only removes the empty dangling bond surface state, whereas at higher temperature new loss transitions involving chemically shifted Ge 3d core levels appear. The findings imply that at 300 K only a chemisorption oxygen state exists on the Ge(111) surface whereas the formation of an oxide phase requires higher temperatures. The shapes of the TD curves show that the desorption of GeO follows $\text{1}\text{2}$ order desorption kinetics.     

Electron energy-loss spectra of clean and hydrogen-covered Cr(110) surfaces

Electron energy-loss spectra of clean and hydrogen-covered Cr(110) surfaces have been investigated in the spectral range of 0–80 eV for primary energies of 60–500 eV. The observed peaks for the clean surface are at the loss energies of 2, 3.5, 5.5, 9.6, 23, 35, 42, 48 and 55 eV. The 3p-excitation spectra for high primary energies (> 250 eV) are in good agreement with the corresponding optical spectrum. The edge at & 42 eV observed for low primary energies is tentatively attributed to the onset of the transition from the 3p subshell to the local 4s-band in the vicinity of the core hole. A characteristic energy-loss at ≈ 15.5 eV is observed after hydrogen adsorption. The 3p-spectrum is not influenced by hydrogen adsorption, indicating that the excitation is of a localized character.     

Phase transitions on clean and nickel containing vicinal Si(111) surfaces

Structure and reversible structural phase transitions on clean vicinal Si surfaces inclined from the (111) plane towards [2 ] and [ 11] poles and the effect of nickel on the structure and the structural transitions on these surfaces have been studied by LEED. The structures of clean surfaces inclined towards [2 ] and [ 11] are different. Phase transitions take place at about 870°C and 800° C, respectively. Above the transition temperatures these two surfaces consist of regular steps with heights equal to one interplanar distance d₁₁₁ (3.135 Å). The terrace width between steps is determined by the angle of inclination to the (111) plane. Below the transition temperatures the surfaces inclined to [2 ] contain steps with height 3d₁₁₁, those inclined towards the [ 11] pole consist of combinations of (111) facets and some other, apparently (133). The effect of nickel leads to the formation of regular steps with height 2d₁₁₁ on the surfaces inclined towards [2 ] and with height 2d₁₁₁ or 1d₁₁₁, depending on the nickel concentration, on the inclined towards [ 11]. On nickel-containing surfaces there also take place reversible structural transitions with varying temperature.