Study of the surface electromigration of In on Si(111) surfaces by the use of micro-electron-beams

The surface electromigration (SE) of ultrathin In films on Si(111)4 × 1-In surfaces has been investigated using experimental techniques based on μ-electron beams. On the basis of the finding that the SE velocity enhances as the strength of the electrostatic field (EF) fed through the substrate enhances, it is strongly suggested that the driving force of SE is an EF rather than a DC current fed through the substrate. It is found that a patch of ultrathin In film changes to an In patch of 1 × 1 periodicity during SE which is accompanied by spotty parts (named fine-polygons) at both the cathode and anode sides of the In patch. It is found that the fine-polygons are created at the cathode side and are stationary but grow in size to be eventually incorporated into the In-patch. A few In-islands are found on the cathode side of the In-patch and they show no translation but cycles of appearance, growth, decay, and disappearance during SE, by which mass-transportation is achieved. A plausible microscopic model for the SE is presented based on these findings.     

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.     

Asymmetric versus symmetric dimerization on the Si(001) and As/Si(001)2 × 1 reconstructed surfaces as observed by grazing incidence X-ray diffraction

The atomic structures of the clean Si(001) and As/Si(001)2 × 1, 1 × 2 reconstructed surfaces prepared in situ have been obtained by grazing incidence X-ray diffraction under ultra high vacuum. In the former case an asymmetric dimer inclined by 7.4° on the surface plane with a slightly contracted dimer bond length (−1.5% compared to the bulk value) has been indentified as the structural basis, whereas a symmetric dimer is found after adsorption of one monolayer of As at 350 ° C. The induced displacements in the first subsurface silicon layer have been derived in both cases. These results are compatible with the models proposed on the basis of spectroscopic and direct imaging methods.     

Highly stable passivation of a Si(1 1 1) surface using bilayer-GaSe

As a stable and ‘epitaxial’ passivation of a Si surface, we propose the bilayer-GaSe termination of a Si(1 1 1) surface. This surface is fabricated by depositing one monolayer of Ga on a clean Si(1 1 1) surface and subsequent annealing in a Se flux at around 520 °C, which results in unreconstructed 1×1 termination of the Si(1 1 1) surface by bilayer-GaSe. We found by scanning tunneling microscopy observation that slow cooling of the clean Si(1 1 1) surface from 850 to 520 °C with simultaneous deposition of a Ga flux results in better termination of the Si(1 1 1) surface. It was also found that this surface is stable against heating around 400 °C in O₂ atmosphere of 3×10⁻³ Pa. By utilizing these properties of the bilayer-GaSe terminated surface, we have succeeded in fabricating ZnO quantum dots on this substrate.     

Growth mode and interface structure of Ag on the HF-treated Si(111):H surface

A growth mode and interface structure analysis has been performed for Ag deposited at a high temperature of 300°C on the HF-treated Si(111):H surface by means of medium-energy ion scattering and elastic recoil detection analysis of hydrogen. The measurements show that Ag grows in the Volmer-Weber mode and that the Ag islands on the surface are epitaxial with respect to the substrate. The preferential azimuthal orientation is A-type only when Ag is deposited slowly. The interface does not reconstruct to the √3 × √3-Ag structure, which is normally observed for Ag deposition above 200°C on the Si(111)7 × 7 surface, but retain bulk-like structure. The presence of hydrogen at the interface is demonstrated after deposition of thick (1100 Å) Ag films. However, the amount of hydrogen at the interface is not a full monolayer. This partial desorption of hydrogen from the interface explains why the Schottky barrier heights of Ag/Si(111):H diodes are close to those of Ag/Si(111)7 × 7 and Ag/Si(111)2 × 1.     

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.     

Growth, structure and oxidation of ordered silicon layers on nickel (001)

Thin silicon films deposited in ultra-high vacuum on Ni(001) have been studied, as a function of annealing and/or O₂ exposure, using Auger spectroscopy and low energy electron diffraction. Annealing at temperatures as low as 200 ° C causes rapid intermixing, with only about one monolayer of Si (θ ≈ 1) remaining in a disordered surface layer. Annealing at successively higher temperatures causes further intermixing and the appearance of a c(2 × 2) ordered overlayer (θ = 0.5). The rate of O chemisorption and the structure of the oxide are found to depend on the structure of the adsorbed Si layer. For the c(2 × 2) layer, O₂ exposure leads to the rapid formation of multiple Si---O bonds at all surface Si sites, as in the case of bulk Ni₃Si. This effect is less pronounced (and the saturation O coverage lower) for a surface having a somewhat higher Si coverage but in the form of a disordered layer. The results are interpreted in terms of the involvement of underlayer Ni atoms in promoting O₂ dissociation.     

Long-range structures on the dihydride Si(001) surface

From several large supercell MD simulations with an empirical tight-binding method, we have found the long-range structure on the dihydride Si(001) surface. This structure can be viewed as the well-known canted phase with domain walls. The formation energy of a single domain wall on the surface is estimated to be 1.3–1.5 eV.     

On the electronic and geometric structure of the Si(113) surface

The Si(113) surface of a p-type sample was studied by AES, LEED and ARUPS. On the clean surface, a (3 × 2) and a (3 × 1) LEED pattern coexist for a large range of annealing temperatures. Annealing to 900 K results in (3 × 1), while temperatures higher than 1050 K favour the (3 × 2) superstructure. ARUPS reveals two weakly dispersing surface resonances around 0.9 and 2.6 eV below E_F which are connected with the (3 × 2) and (3 × 1) structures, respectively. The work function was determined as φ = 4.81 eV and the photoionization threshold as ξ = 5.36 eV. The bands are bent downwards by 0.43 eV at room temperature.     

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.     

Realization of metastable ideal and inverted Mn monolayers on Ag(001)

We demonstrate the growth of nearly ideal Mn/Ag(001) and inverted two-dimensional Ag/Mn/Ag(001) monolayer structures with a good degree of perfection by photoelectron diffraction and valence-band photoemission. A flat, ordered monolayer on Ag(001) stable up to 130 K is obtained by deposition of 0.9 monolayers at 80 K. An inverted subsurface or sandwich monolayer stable up to 330 K is achieved by further deposition of 1 ML Ag at 80 K and subsequent annealing at room temperature. There is evidence that these structures continue the Ag fcc lattice with a Mn atomic volume as large as that of Ag. In both structures, the Mn 3d states exhibit a very similar magnetic splitting which indicates a local moment of about 4μ_B. Low-energy electron diffraction provides evidence that the bare monolayer adopts a c(2×2) antiferromagnetic arrangement while the Ag-coated monolayer shows no similar superstructure, which suggests that it might be ferromagnetically ordered.     

Morphology and composition of Au films on Si(100)

Spot profile analysis low-energy electron diffraction, low-energy ion scattering and Auger electron spectroscopy were employed to study the morphology and composition of Au films on Si(100). After annealing, two distinct surface reconstructions were observed: a two-domain c(8×2) phase and a four-domain incommensurate (5×3.2)R5.7° phase. During the transition from the c(8×2) to the (5×3.2)R5.7° phase, the subsurface composition changes drastically from Au-rich to Si-rich, whereas the outermost layer composition remains almost constant (about 65 at.% Au). Detailed information concerning the domain structure for the two phases is subtracted from the profiles of the LEED spots.     

Sb/Si(001)表面的半经验研究

用基于Chadi模型和格林函数方法的一种计算表面应力的半经验方法研究了Sb吸附在Si(001) 衬底上的性质.结果显示,Sb原子在Si(001)表面形成对称的dimer,其键长为0.293nm,表 面以下层的弛豫很小.Sb/Si(001)2×1表面沿着dimer方向的张应力为1.0eV/(1×1cell),而 沿垂直于dimer方向的压应力为-1.1eV/(1×1cell).Sb/Si(001)表面应力的主要贡献来自于 最上面三层表面. 关键词： 表面应力 异质生长 格林函数方法     

Theory of adsorption: Ordered monolayers from Na to Cl on Si(001) and Ge(001)

First principles calculations of clean and adsorbate-covered surfaces of Si(001) and Ge(001) are reported. Chemical trends in the adsorption of ordered Na, K, Ge, As, Sb, S, Se and Cl overlayers are discussed. The calculations are based on the local-density approximation and employ non-local, norm-conserving pseudopotentials together with Gaussian orbital basis sets. The semi-infinite geometry of the substrate is properly taken into account by employing our scattering theoretical method. From total-energy minimization calculations we obtain optimal surface reconstructions which show asymmetric dimers for Si(001), Ge(001) and Ge:Si(001). For As:Si(001), Sb:Si(001) and Sb:Ge(001), we find symmetric adatom dimers in the equilibrium geometries. S or Se adlayers are found to be adsorbed in bridge positions forming a (1×1) unit cell with a geometry very close to the configuration of a terminated bulk lattice. Cl atoms adsorb on top of the dangling bonds of symmetric Si dimers residing in the first substrate-surface layer. Our calculations for Na:Si(001) and K:Si(001) confirm valley-bridge site adsorption for half monolayer coverage. For full monolayer alkali-metal coverage, adsorption in pedestal and valley-bridge positions is found to be energetically most favourable. The calculated optimal adsorption configurations are in excellent agreement with a whole body of recent experimental data on surface-structure determination. For these structural models, we obtain electronic surface band structures which agree very good with a wealth of data from angle-resolved photoemission spectroscopy investigations.     

The Si(001) c(4×4) surface reconstruction: a comprehensive experimental study

We have carried out a comprehensive experimental study of the Si(001) c(4×4) surface reconstruction by scanning tunneling microscopy (STM) (at room temperature and elevated temperatures), Auger electron spectroscopy (AES), reflection high-energy electron diffraction (RHEED) and low-energy electron diffraction (LEED). Si(001) samples were kept under ultra-high vacuum (UHV) at around 550°C until the c(4×4) reconstruction appeared. STM contrast of the c(4×4) reconstruction is strongly influenced by electronic effects and changes considerably over a range of bias voltages.

The c(4×4) surface reconstruction is a result of stress which is caused by incorporation of impurities or adsorbates in sub-surface locations. The resulting c(4×4) reconstruction in the top layer is a pure silicon structure. The main structural element is a one-dimer vacancy (1-DV). At this vacancy, second layer Si-atoms rebond and cause the adjacent top Si-dimers to brighten up in the STM image at low bias voltages. At higher bias voltage the contrast is similar to Si-dimers on the (2×1) reconstructed Si(001). Therefore, besides the 1-DV and the two adjacent Si-dimers, another Si-dimer under tensile stress may complete the 4× unit cell. This is a refinement of the missing dimer model.     

STM and LEED observations of erbium silicide nanostructures grown on Si(1 0 0) surface: atomic-scale understandings

In this work, erbium silicide is grown on the Si(1 0 0) surface by depositing Er onto the substrate and annealing at 600–700 °C. Many nanowires of Er silicide are formed with lengths in the range 10–100 nm. The formation and evolution of this nanostructure are investigated at atomic scale directly with scanning tunneling microscopy and low-energy electron diffraction. The direction of these nanowires is found perpendicular to that of Si dimer rows. It is shown that Er coverage and annealing temperature have an effect on the formation of nanowires. On the surface between nanowires, new (5×2) and c(5×4) reconstructions are observed, giving an implication to understand the growth behaviors of Er silicide on Si(1 0 0) surface.     

Submonolayer Au on Si(111) phase diagram

Based on a review of the current literature, a surface phase diagram is proposed for the submonolayer Au on Si(111) system. Kinetic considerations are reviewed and key surface phase diagram features such as the Θ < 0.4 ML metastable structure and the high temperature to Si(111)-(1 × 1)Au second order phase transition are discussed. Experiments to verify certain portions of the phase diagram are proposed.     

Changes of phase and intensity of optical SHG with Ag deposition on Si(111)-7×7 surfaces

The phase and intensity of optical second harmonic generation (SHG) were studied in Ag deposition on the Si(1 1 1) surfaces. The 7×7 reconstruction of the surface changed to the 1×1 structure in room temperature deposition. The SHG intensity reduced and the phase shifted to +180° with this structural change. Meanwhile, the 7×7 reconstruction changed to the reconstruction in 400 °C deposition. With this structural change, the SHG intensity increased and the phase shifted to −250°. An analysis with anharmonic oscillator model showed that the changes in room temperature deposition were due to the quenching of the surface dangling bond states of the 7×7 reconstruction by the Ag deposition, whereas those in 400 °C deposition were due to the appearance of new surface states of the reconstruction.     

Atomic configurations during Si incorporation on GaAs(001) in As atmosphere evidenced by reflectance difference spectroscopy

The structural ordering of surface atoms during Si deposition on singular and vicinal GaAs(001) surfaces has been studied by reflectance difference (RD) spectroscopy using the difference function between the Si-covered and the bare surface. In dependence on the Si coverage the difference spectra correspond to RD spectra of the bare Si(001)-(1×2) or of the As-terminated Si(001):As(2×1) surface. This finding and the behaviour of RD transients recorded at 3.8 eV photon energy allows to define a (3×2)α phase with Si dimers in the top layer and Ga dimers in the third layer, and a (3×2)β phase with As-dimer rows on top of Si in the second 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.