Atomic and electronic structure of Sr/Si(0 0 1)-(2 × 2)

The adsorption of Sr on the Si(0 0 1) surface with the semiantiphase dimer (2 × 2) reconstruction is studied, based upon the ab initio pseudopotential calculations. It is calculated that the semiantiphase dimer (2 × 2) reconstruction (2 dimers per unit cell) is more favorable than the (2 × 1) phase (1 dimer per unit cell) by an energy of about 0.24 eV/dimer. Considering the energetically more stable reconstruction, we have assumed four possible locations for 1/4 monolayer (ML) Sr adsorption on this surface: (i) bridge, (ii) cave, (iii) pedestal, and (iv) valley-bridge. We find that Sr adsorption on the valley-bridge site is energetically more favorable than all other cases studied here. Interestingly, one of the dimers becomes symmetric, but the other one is still asymmetric with the buckling angle reduced from 18° to 14°, when compared with the clean Si(0 0 1)-(2 × 2) surface. The calculated bond length between Sr and Si in the case of valley-bridge adsorption site is 3.05 Å, and in good agreement with other theoretical calculations. We also present and compare the electronic band structures for the clean and covered surfaces as well as the corresponding charge density plots.     

硅掺杂铝镓氮薄膜场发射性能研究

利用脉冲激光沉积,分别制备了一系列不同Si掺杂浓度的铝镓氮(AlGaN)薄膜.对此薄膜进行场致电子发射测试表明,Si掺杂浓度为1％的AlGaN薄膜具有最好的场发射特性.相对于非掺杂样品,其场发射电流明显增加,场发射开启电场显著降低.掺杂带来载流子浓度的提升,为场发射提供足够的电子源,使样品的场发射性能提升.但掺杂浓度的进一步提高,薄膜缺陷增加,电子迁移率降低,其薄膜内部电子输运能力降低大于电子浓度的增加对场电子发射的贡献,导致场发射性能开始变差.     

低压下气流对激光沉积纳米硅晶化及尺寸的影响

纳米硅具有明显的光致发光效应和量子尺寸效应,广泛的应用在现代电子工业和太阳能光伏工业中.尺寸影响着纳米硅的实际用途,因此制备尺寸可控的纳米硅晶粒具有很重要的实际意义.本文采用脉冲激光沉积(PLD)技术,在烧蚀点水平方向、距靶2 cm处引入一束流量为5 sccm的氩(Ar)气流,在0.01-0.5 Pa的Ar气压下烧蚀高阻抗单晶硅(Si)靶.在管口正下方1 cm处水平放置衬底来沉积纳米Si薄膜;并用同一装置,在0.08 Pa的Ar气压下分别引入流量为0,2.5,5,7.5,10 sccm的Ar气流沉积纳米Si薄膜.利用原子力显微镜(AFM)、X射线衍射(XRD)、Raman散射对样品表面形貌和微观结构进行分析表征.结果表明:不引入气流时出现纳米Si晶粒的阈值气压是0.1Pa,引入气流后出现纳米Si晶粒的阈值气压为0.05 Pa.晶粒尺寸随着气流流量的增大而减小.     

Mg-Sn-Si合金中Mg2(Si,Sn)复合相的结构与性能研究

研究了铸态Mg-Sn-Si合金中Mg₂(Si,Sn)复合相的结构、 特性以及该相对Mg-Sn-Si合金变质作用的影响. 结果表明: Sn原子能取代Mg₂Si中的部分Si生成Mg₂(Si,Sn)复合相, 该三元相与Mg₂Si, Mg₂Sn相的结构相同, 属于面心立方结构, Mg₂(Si,Sn)相的元素含量并不固定, 在Si富集区形成的Mg₂(Si,Sn)相中, Si元素含量高, 在Si贫乏区形成的Mg₂(Si,Sn)相中, Si元素含量低. Si含量较多的Mg₂(Si,Sn)相性能与Mg₂Si相接近, Sn含量较多的Mg₂(Si,Sn)相性能与Mg₂Sn相接近, 实验中发现Mg₂(Si,Sn)复合相的纳米硬度、 弹性模量与维氏硬度等物理性能介于Mg₂Si与Mg₂Sn之间, Mg₂(Si,Sn)相对汉字状Mg₂Si相的变质处理起到桥梁作用. 关键词： Mg-Sn-Si合金 2Si')" href="#">Mg₂Si 2Sn')" href="#">Mg₂Sn 2(Si,Sn)复合相')" href="#">Mg₂(Si,Sn)复合相     

Si(001)-(2*2*1):H表面O2吸附的密度泛函理论研究

建立了一种计算Si(001)-(2×2×1):H表面O2吸附的理论模型．在周期性边界条件下,采用基于密度泛函理论广义梯度近似的超软赝势法对Si(001)-(2×2×1):H表面O2吸附进行了第一性研究．通过占位能的计算,得到了Si(001)-(2×2×1):H表面O2的最佳吸附位置．计算结果表明吸附后的反应产物应为Si=O和H2O,从理论上支持了D．Kovalev等人提出反应机制．     

Read—out of a read—only super—resolution optical disc with a Si mask

A novel read-only super-resolution optical disc structure (substrate/mask layer/dielectric layer) is proposed in this paper. By using a Si thin film as the mask layer, the recording pits with a diameter 380nm and a depth 50nm are read out on the dynamic measuring equipment; the laser wavelength α is 632.8nm and the numerical aperture is 0.40. In the course of reproduction, the laser power is 5mW and the rotation velocity of the disc is 4m·s^-1. The optimum thickness of the Si thin film is 18nm and the signal-to-noise ratio is 32dB.     

In-phase step wandering on vicinal Si(1 1 1) surfaces

The step structure transition between a regular step and a bunched step on vicinal Si(1 1 1) surfaces induced by DC is studied by the kinetic Monte Carlo simulation in a terrace-adatom-step-kink (TASK) model. In the TASK model, effective force due to DC is taken into account explicitly on the mass transport of Si adatoms. In the diffusion-limited regime corresponding to the experimental temperature range II, step bunching is induced by step-up force and in-phase wandering of a regular step is formed by step-down force. The in-phase wandering of a regular step is formed by nucleation growth mode and the amplitude of wandering grows with time in proportion to . The period of in-phase wandering decreases as the effective force increases, consistent with the recent experimental results.     

Local relaxation in lanthanum silicate oxyapatites by Raman scattering and MAS‐NMR

To characterize the local relaxation in the structure of lanthanum silicate oxyapatite materials, six compositions with different cation and oxygen stoichiometries (La₈Ba₂Si₆O₂₆, La₉BaSi₆O_26.5, La₁₀Si_5.5Mg_0.5O_26.5, La_9.33SiO₂₆, La_9.67SiO_26.5 and La_9.83Si_5.5Al_0.5O_26.5) were investigated by combining Raman scattering and ²⁹Si and ²⁷Al magic‐angle spinning nuclear magnetic resonance (MAS‐NMR) spectroscopies. Only [SiO₄]⁴⁻ species were evidenced and the hypotheses of [Si₂O₇]⁶⁻ and [Si₂O₉]⁸⁻ entities were ruled out. Both oxygen excess and cation vacancies induce local distortions in the structure, which leads to nonequivalent [SiO₄]⁴⁻ species, characterized by different ²⁹Si MAS‐NMR signals and by splitting of Raman signals. Copyright © 2011 John Wiley & Sons, Ltd.     

Evolution of infrared spectra and optical emission spectra in hydrogenated silicon thin films prepared by VHF-PECVD

A series of hydrogenated silicon thin films with varying silane concentrations have been deposited by using very high frequency plasma enhanced chemical vapor deposition (VHF-PECVD) method. The deposition process and the silicon thin films are studied by using optical emission spectroscopy (OES) and Fourier transfer infrared (FTIR) spectroscopy, respectively. The results show that when the silane concentration changes from 10% to 1%, the peak frequency of the Si—H stretching mode shifts from 2000 cm ^{- 1} to 2100 cm ^{- 1}, while the peak frequency of the Si—H wagging—rocking mode shifts from 650 cm ^{- 1} to 620 cm ^{- 1}. At the same time the SiH^*/H_α intensity ratio in the plasma decreases gradually. The evolution of the infrared spectra and the optical emission spectra demonstrates a morphological phase transition from amorphous silicon (a-Si:H) to microcrystalline silicon (μc-Si:H). The structural evolution and the μc-Si:H formation have been analyzed based on the variation of H_α and SiH^* intensities in the plasma. The role of oxygen impurity during the plasma process and in the silicon films is also discussed in this study.     

便携式分光测色仪光学设计

光学系统是分光光度计的核心部分,以光谱仪基本原理和光学设计理论为基础,以便携化、低成本、且满足设计要求的光谱范围和分辨率为具体设计目标,对李特洛系统、艾伯特-法斯梯系统、切尔尼-特纳系统、交叉式切尔尼-特纳系统这4种可行的设计方案进行了比较与分析,提出以平面衍射光栅作为色散元件的非对称交叉式C zerny-Turner结构作为该设计的系统结构。用光学软件对该系统进行模拟和优化,设计结果表明:设计的系统光谱范围为360 nm～740 nm,光谱分辨率为10 nm、F数为5.25、光谱展开为44.1 mm、系统体积约80 mm×69 mm×62 mm,满足精度高、体积小及成本低等设计要求。