Formation of Sim and SimCn clusters by C60 sputtering of Si

The secondary ion mass spectrum of silicon sputtered by high energy C₆₀⁺ ions in sputter equilibrium is found to be dominated by Si clusters and we report the relative yields of Si_m⁺ (1 ≤ m ≤ 15) and various Si_mC_n⁺ clusters (1 ≤ m ≤ 11 for n = 1; 1 ≤ m ≤ 6 for n = 2; 1 ≤ m ≤ 4 for n = 3). The yields of Si_m⁺ clusters up to Si₇⁺ are significant (between 0.1 and 0.6 of the Si⁺ yield) with even numbered clusters Si₄⁺ and Si₆⁺ having the highest probability of formation. The abundances of cluster ions between Si₈⁺ and Si₁₁⁺ are still significant (>1% relative to Si⁺) but drop by a factor of ∼100 between Si₁₁⁺ and Si₁₃⁺. The probability of formation of clusters Si₁₃⁺-Si₁₅⁺ is approximately constant at ∼5 × 10⁻⁴ relative to Si⁺ and rising a little for Si₁₅⁺, but clusters beyond Si₁₅ are not detected (Si_m≥16⁺/Si⁺ < 1 × 10⁻⁴). The probability of formation of Si_m⁺ and Si_mC_n⁺ clusters depends only very weakly on the C₆₀⁺ primary ion energy between 13.5 keV and 37.5 keV. The behaviour of Si_m⁺ and Si_mC_n⁺ cluster ions was also investigated for impacts onto a fresh Si surface to study the effects that saturation of the surface with C₆₀⁺ in reaching sputter equilibrium may have had on the measured abundances. By comparison, there are very minor amounts of pure Si_m⁺ clusters produced during C₆₀⁺ sputtering of silica (SiO₂) and various silicate minerals. The abundances for clusters heavier than Si₂⁺ are very small compared to the case where Si is the target.The data reported here suggest that Si_m⁺ and Si_mC_n⁺ cluster abundances may be consistent in a qualitative way with theoretical modelling by others which predicts each carbon atom to bind with 3-4 Si atoms in the sample. This experimental data may now be used to improve theoretical modelling.     

Surface reactions of monoethylgermane on Si(100)-(2×1)

The adsorption and decomposition of monoethylgermane (GeH₃Et) on the Si(100)-(2×1) surface was investigated with the intent of elucidating the surface processes leading to the deposition of germanium. The low-temperature adsorption of the molecule was explored, as well as its thermal decomposition. H₂ and C₂H₄ are observed as the desorption products in temperature-programmed desorption experiments. The ethylene is produced by a hydride elimination reaction within the adsorbed ethyl groups. The amount of Ge which can be deposited in a reaction cycle is correlated with the number of sites occupied by the ethyl groups upon the dissociation of GeH₃Et.     

锂离子电池硅基负极材料嵌锂行为的第一性原理研究

采用基于密度泛函理论的第一性原理平面波赝势方法,计算不同数量的锂离子引起的硅材料晶体结构的变化以及在嵌锂过程中形成Li_xSi(x=1、2、2.4、4.4)合金相的形成能与电子结构.采用LST/QST方法计算过渡态,模拟合金体相中的锂离子迁移过程.计算结果表明,随着嵌锂数量的增加,硅晶胞的体积在不断增大;Li_xSi合金相的形成能为负值,表明在嵌锂过程中锂离子和硅原子可以自发形成这些合金相,其中Li₇Si₃合金最容易形成;随着嵌锂量的增加,锂离子在费米能级处s轨道提供的电子数逐渐增加,锂硅合金在费米能级处的电子数量呈增大趋势,表明锂硅合金的导电性越来越优;常温下Li₂Si体相中很难直接形成锂离子空位,但锂离子空位的迁移过程很容易发生.     

Scanning tunneling microscopy of N2H4 on silicon surfaces

The chemistry of N₂H₄ on Si(100)2 × 1 and Si(111)7 × 7 has been studied using scanning tunneling microscopy. At low coverages on Si(100)2 × 1 at room temperature the adsorption sites are distributed randomly on the surface and are imaged as dark spots in the dimer row by the STM. Upon annealing the substrate at 600 K, both isolated reaction products, as well as clusters of reaction products are formed on the surface. The STM images show that the majority of the isolated reaction products are adsorbed symmetrically across the dimers. Based on previous HREELS data, these are most likely NH_x groups. However, the clusters are not well resolved. Because of this we speculate that they are not simply symmetrically adsorbed NH_x groups, but likely have a more complicated internal structure. At higher coverages, the STM images show that the predominant pathway for adsorption is with the N---N bond parallel to the surface, in agreement with HREELS studies of this system. On Si(111)7 × 7, the molecule behaves in a manner which is similar to NH₃. That is, at low coverages the molecule adsorbs preferentially at center adatoms due to the greater reactivity of these sites, while at higher coverages it also reacts with the corner adatoms.     

Low density approximation for diffusion annealing

The problem of annealing of Frenkel-pairs in electron irradiated fee metals due to diffusion of interstitials is treated starting from exact equations for single particle densities, pair densities, etc. The mobile interstitials are considered to interact with vacancies (leading to recombination), impurity atoms (leading to interstitial-impurity complexes) and with each other (leading to interstitial clusters).

By using the superposition approximation, i.e. replacing three-particle probabilities by products of two-particle probabilities we obtain generalized Waite equations. For low defect densities the annealing is at different times governed by different processes. For short times the important process is the recombination of an interstitial with the near-by correlated vacancy generated by the same electron impact event, the so-called correlated recovery. For long times the remaining interstitials undergo long range migration and interact with uncorrelated sinks. During this process interstitial impurity complexes and interstitial clusters are formed.

The time dependence of the defect densities, the remaining fraction of defects after completion of diffusion annealing and the size distribution of interstitial clusters are calculated. Detailed comparison with experiments in Cu and Pt will be made.     

Effect of hydrogen introduced by channelling implantation on the microstructures in silicon wafers

High-resolution transmission electron microscopy has been employed to study the platelet defects before annealing and the extended defects generated by annealing in the channelling-implanted silicon wafers. It has been found that there apparently appear platelet defects of quite great size and spacing at the maximum projected range of ions (R _max). Additionally, the cracks induced by annealing at 550 °C are generated around R _max instead of the average projected range of ions (R _p) as it is in the non-channelling-implanted samples. Moreover, after annealing at 1000 °C, cracks without branches and cavities arranging in a single array, different from the forked cracks and cavities arranged in several arrays in the non-channelling-implanted samples, are observed in the channelling-implanted silicon wafers. It is suggested that those special microstructure characteristics are ascribed to the channelling effect of implanted hydrogen ions.     

Design of thermo-optic tunable optical filter based on Si/Air DBR and polymer Fabry–Perot microcavity in SOI

An integrated tunable optical filter (TOF) based on thermo-optic effect in silicon on insulator (SOI) rib waveguide is designed and simulated. The device is comprised of two high refractivity contrast Si/Air stacks, functioning as high reflectivity of DBRs (distributed Bragg reflectors) and separating by a variable refractive index polymer Fabry–Perot (F–P) cavity. The designed device exhibits Q = 24077, FWHM = 0.065 nm and finesse = 566. Wavelength tuning is achieved through thermal modulation of refractive variation of the cavity. As the cavity polymer is heated, the refractive index of the cavity decreases. When the temperature of cavity polymer changes within 105, the central wavelength gets a continuous 35 nm shift from 1530 nm to 1565 nm, which can operate the whole C-band in the WDM (wavelength division multiplexing) networks. Moreover, by calculating, the tuning sensitivity is about 0.33 nm/°C. Owing to the compact size and excellent characteristics of integration, the proposed component has a promising utilization in spectroscopy and optical communication.     

Influence of the structure parameters on the gain and noise figure in silicon parametric amplifiers based on SOI Rib waveguides

Gain and Noise figure (NF) characteristics in dual-pump parametric amplifier based on silicon on insulator (SOI) Rib waveguides are numerically investigated in the presence of nonlinear losses. The impact of structure parameters of the silicon optical parametric amplifiers (SOPAs) on the gain and the NF are also analyzed. The results show that both the height and the width of the silicon on insulator (SOI) can affect the gain and the NF of SOPAs. 354 nm bandwidth (3 dB) and 8.135 maximum gain can be achieved by tailoring the structure parameters of the SOI rib waveguides. Moreover, the dispersion and the effective mode area of SOI are also analyzed.     

Structure transition and photoluminescence of CdS/Si nanoheterostructure array on thermal annealing

CdS/Si heterojunctions have been prepared through growing CdS nanocrystallites (nc-CdS) on the silicon nanoporous pillar array (Si-NPA) by the chemical bath deposition method. Cadmium nanocrystallites (nc-Cd) have been observed and ascribed to the reducibility of Si-NPA. The reason for the appearance of CdO is indistinct and the related work will be done in the future. The blue, green and red emissions are ascribed to the silicon oxide layer, band gap of nc-CdS and the sulphur vacancies, respectively. Redshift and blueshift with the annealing temperature about green emissions are contributed to quantum size effect and the structure transition from nc-Cd to CdO. It is beneficial for investigating the structures and defects to the application of CdS/Si in the optoelectronic field.     

Surface structure of low-coveraged Cs on Si(0 0 1)-() system

Alkali metals (AM) on semiconductors have been investigated as a simple model system for the metal-semiconductor interfaces due to their simple electronic structures. Especially, cesium (Cs) on Si(0 0 1) surface has been studied with various experimental techniques. In this study, we investigated the atomic structure of initial Cs adsorption on Si(0 0 1)-(2×1) surface using coaxial impact collision ion scattering spectroscopy. When Cs atoms are adsorbed on Si(0 0 1)-(2×1) up to 0.2 ML at room temperature, the initial adsorption site is on-top T3 site with poor periodicity and the length of Si dimer is reserved as in the clean Si(0 0 1) surface. It is also found that Cs atoms adsorbed on Si(0 0 1) surface with a height of 2.83±0.05 Å from the second layer of Si(0 0 1) surface.