Investigation of the (√3 × √3)R30°-Cu2Si/Cu(1 1 1) surface alloy using DFT

The electronic structure of the FCC, HCP and 2-fold bridge phases of the (√3 × √3)R30°-Cu₂Si/Cu(1 1 1) surface alloy have been investigated using LCAO-DFT. Analysis of the total electron density, partial density-of-states (PDOS) and crystal orbital overlap population (COOP) curves for the system have shown a surprising similarity between the intra- and inter-layer Si-Cu bond for each phase. Low hybridization between the Si 3s and 3p orbitals results in a low directionality of the Si-Cu bond within each of phase. The Si 3s orbitals are shown to form covalent bonds with their surrounding Cu atoms whereas the Si 3p and 3d orbitals are shown to form combinations of covalent and metallic bonds. The Si-Cu interaction is shown clearly to extend to the second layer of the alloy in deference to previous studies of Si/Cu alloys.     

Electrochemical synthesis of ZnO nanoflowers and nanosheets on porous Si as photoelectric materials

Well-aligned ZnO nanoflowers and nanosheets were synthesized on porous Si (PS) at different applied potentials by electrodeposition approach. The deposits were grown using the optimized program and were characterized by means of cyclic voltammetry (CV), amperometry I-t (I-t), open-circuit potentiometry. X-ray diffraction (XRD) analysis proved a strong preferential orientation (1 0 0) on PS. Scanning electronic microscopy (SEM) observation showed the deposits consist of nanoflowers with uniform grain size of about 100 nm in diameter and nanosheets, which may have potential applications in nanodevices and nanotechnologies. Thus, ZnO grown on PS can be used as photoelectric materials due to its larger photoelectric effect compared to Si wafer according to open-circuit potential (OCP) study. Optical band gap measurements were made on samples using UV-visible spectrophotometer thus giving a band gap of 3.35 eV.     

Nano-crater formation on a Si(1 1 1)-(7 × 7) surface by slow highly charged ion-impact

Using scanning tunneling microscopy (STM) and time of flight secondary ion mass spectrometry (TOF/SIMS), we observed radiation effects on a Si(1 1 1)-(7 × 7) surface in the collision of a single highly charged ion (HCI) with a charge state q up to q = 50. The STM observation with atomic resolution revealed that a nanometer sized crater-like structure was created by a single HCI impact, where the size increased rapidly with q. The secondary ion yields also increased with q in which multiply charged Si ions (Siⁿ⁺) were clearly observed in higher q HCI-collisions. The sputtering mechanism is briefly discussed, based on the so-called Coulomb explosion model.     

First principles calculation of the opto-electronic properties of (110) growth axis SiGe superlattices

Using two versions of the first principles full potential linear muffin-tin orbitals method (FPLMTO) which enable an accurate treatment of the interstitial regions, the electronic and optical properties of (110) growth axis Si/SiGe superlattices are investigated. A comparative study with (001) growth axis superlattices is made. In particular, it is found that the bottom of the conduction band (CB) is closer to Γ$\Gamma$ in the (110) system but the optical activity is not enhanced. Furthermore, the absorption spectra of the superlattices are calculated and are found to be quite different from those of bulk Si and Ge but fairly close to their average.     

电感耦合等离子体CVD低温生长硅薄膜过程中的铝诱导晶化

利用电感耦合等离子体CVD方法在350℃的低温下在镀Al玻璃衬底上制备出具有良好结晶性的Si薄膜.利用x射线衍射、紫外-可见分光椭圆偏振谱、原子力显微镜及x射线光电子谱等研究了薄膜的结构、表面形貌和成分分布等.结果表明，用这种方法制备的Si薄膜不但晶化程度高，而且具有良好的（111）结晶取向性，晶粒尺寸大于300nm，样品中无Al的残留.结合电感耦合等离子体的高电子密度特征讨论了低温生长过程中Al诱导Si薄膜晶化的机理. 关键词： 电感耦合等离子体CVD Al诱导晶化 Si薄膜 低温生长     

ICP-AES测定工业用氢氧化钠中Fe、Si、Ca和Mg

电感耦合等离子体-原子发射光谱法(ICP-AES)同时测定了工业用氢氧化钠中Fe、Si、Ca、Mg,探讨了功率对测定结果的影响,用离峰扣背景法消除背景干扰,用基体校正系数消除基体干扰,加标回收率在97.9%—105%之间。     

Ab initio predictions of zeolite structures and Si NMR chemical shifts

A recent shell-model potential parameterized on ab initio data is used for predicting the all-silica structures of zeolites MFI, MEI, MTW, TON, FAU and of α-quartz. Cluster models are defined around each site and the ²⁹Si NMR shielding constants are calculated by ab initio techniques (GIAO-HF). Good agreement with observed ²⁹Si NMR chemical shifts is found. Comparison is made with shifts calculated for observed structures. The structures predicted by the ab initio shell-model potential prove as accurate as the observed ones when judged on the quality of the calculated ²⁹Si NMR spectra.     

ICP—AES法同时测定硼铁中的主要成分及杂质

本文研究了用ＩＣＰ－ＡＥＳ法同时测定硼铁中的主要成分Ｂ、Ｆｅ及杂质元素、Ａｌ、Ｍｎ，Ｓｉ的方法。采用碱熔融法分解样品，选Ｃｄ作为内标元素。     

可控硅外特性的研究

开发和推广可控硅特性研究的物理实验,意在启发学生对物理实验的趣味性和思考方法,让学生在实验课中根据观察到的现象和实验数据在实验课后进行分析,最后判断并得出结论.     

转移基板材质对Si衬底GaN基LED芯片性能的影响

在Si衬底上生长了GaN基LED外延材料,分别转移到新的硅基板和铜基板上,制备了垂直结构蓝光LED芯片。研究了这两种基板GaN基LED芯片的光电性能。在切割成单个芯片之前,对大量尺寸为(300μm×300μm)的这两种芯片分别通高达1 A的大电流在测试台上加速老化1 h。结果显示,铜基板Si衬底GaN基LED芯片有更大的饱和电流,光输出效率更高,工作电压随驱动电流的变化不大,光输出在老化过程中衰减更小。铜基板芯片比硅基板芯片可靠性更高,在大功率半导体照明器件中前景诱人。