XD－YES：IC功能成品率模拟器的实现

首先建立缺陷空间分布和粒径分布的模型，并讨论了缺陷通过版图产生电路错误的过程，给出了ＩＣ功能成品率模拟器ＸＤ－ＹＥＳ的实现。用ＸＤ－ＹＥＳ对微电子测试图和实际ＩＣ的功能成品率模拟和分析表明，其结果与实际符合很好，从而表明ＸＤ－ＹＥＳ的可行性和实用性。     

鸟嘌呤和次黄嘌呤的铜络合物的吸附作用和伏安特性研究

本文研究了鸟瞟呤(Gua)和次黄嘌呤(Hxa)铜络合物在悬汞电极(HMDE)上的吸附作用和电极反应机理,溶液中形成的1:1络合物有强烈吸附性,通过分子结构的比较,推断出Cu~(2+)与Gua和Hxa的咪唑环N(7)和外环氧O(6)原子结合形成封闭的五元环。嘌呤环的π-电子有使分子呈平面吸附的趋势,但是Gua络合物分子优先取“倾斜”定向;随着表面吸附浓度增加,Hxa络合物分子存在从“平面”向“垂直”的再定向作用。本文测定了单层吸附浓度、包含的电量和每个分子占据的面积。络合物吸附得到S形等温线,它与Frumkin吸附等温线接近。本文还列出有关吸附参数B、a、△G_A~O和θ~*的计算结果。     

Cluster and periodic DFT calculations of adsorption and activation of CO2 on the Cu(hkl) surfaces

The adsorption behavior and thermal activation of carbon dioxide on the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces have been investigated by means of density functional theory calculations and cluster models and periodic slabs. According to the cluster models, the optimized results indicate that the basis set of C and O atoms has a distinct effect on the adsorption energy, but an indistinct one on the equilibrium geometry. For the CO₂/Cu(hkl) adsorption systems studied here, the final structure of adsorbed CO₂ is near linear and the preferred modes for the adsorption of CO₂ onto the Cu(1 1 1), Cu(1 0 0), and Cu(1 1 0) surfaces are the side-on adsorption at the cross bridge site with an adsorption energy of 13.06 kJ/mol, the side-on adsorption at the short bridge site (13.54 kJ/mol), and the end-on adsorption on the on-top site with C–O bonds located along the short bridge site (26.01 kJ/mol), respectively. However, the calculated adsorption energies from periodic slabs are lower as compared to the experimental data as well as the cluster model data, indicating that the periodic slab approach of generalized gradient approximation in the density function theory may be not suitable to obtain quantitative information on the interaction of CO₂ with Cu(hkl) surfaces.     

Density functional theory investigation of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0)

The adsorption of CN on Cu(1 1 1), Ni(1 1 1) and Ni(1 0 0) has been investigated using density functional theory (DFT). While experimental studies of CN on Cu(1 1 1) show the molecular axis to be essentially parallel to the surface, the normally-preferred DFT approach using the generalised gradient approximation (GGA) yields a lowest energy configuration with the C-N axis perpendicular to the surface, although calculations using the local density approximation (LDA) do indicate that the experimental geometry is energetically favoured. The same conclusions are found for CN on Ni(1 1 1); on both surfaces bonding through the N atom is always unfavourable, in contrast to some earlier published results of ab initio calculations for Ni(1 1 1)/CN and Ni(1 0 0)/CN. The different predictions of the GGA and LDA approaches may lie in subtly different relative energies of the CN 5σ and 1π orbitals, a situation somewhat similar to that for CO adsorbed on Pt(1 1 1) which has proved challenging for DFT calculations. On Ni(1 0 0) GGA calculations favour a lying-down species in a hollow site in a geometry rather similar to that found experimentally and in GGA calculations for CN on Ni(1 1 0).     

Thermal behaviour of polyacrylamidoxime-copper chelates

The purpose of this work was to investigate the effect of several factors (anion type in the copper salt, pH and concentration of the salt solution) on the structure and thermo-oxidative degradation of the polyacrylamidoxime-copper chelates, by using elemental analysis, IR spectroscopy and dynamic thermogravimetry. The chelates containing copper ions as sulphate exhibit a better initial thermal stability than the polyacrylamidoxime fibre presumably due to the crosslinking generated by the intermolecular complexation of the ions; the removal of the sulphate anions takes place concomitantly with the second step of polymeric chain decomposition. The initial thermal decomposition of the chelates formed by copper ions as nitrate begins at lower temperatures as compared to the polyacrylamidoxime fibre, probably by the nitrate anion release, which partly overlaps the initial decomposition of the copper ion-crosslinked polymeric chains. Copper ions as either sulphate or nitrate catalyse the reactions involved in the main step of polyacrylamidoxime fibre decomposition; the higher the copper amount, the stronger the catalytic effect.     

Chemical synthesis of p-type nanocrystalline copper selenide thin films for heterojunction solar cells

Nanocrystalline thin films of copper selenide have been grown on glass and tin doped-indium oxide substrates using chemical method. At ambient temperature, golden films have been synthesized and annealed at 200 °C for 1 h and were examined for their structural, surface morphological and optical properties by means of X-ray diffraction (XRD), scanning electron microscopy and UV-vis spectrophotometry techniques, respectively. Cu_2−xSe phase was confirmed by XRD pattern and spherical grains of 30 ± 4 - 40 ± 4 nm in size aggregated over about 130 ± 10 nm islands were seen by SEM images. Effect of annealing on crystallinity improvement, band edge shift and photoelectrochemical performance (under 80 mW/cm² light intensity and in lithium iodide electrolyte) has been studied and reported. Observed p-type electrical conductivity in copper selenide thin films make it a suitable candidate for heterojunction solar cells.     

Copper diffusion in Ti-Si-N layers formed by inductively coupled plasma implantation

Ternary Ti-Si-N refractory barrier films of 15 nm thick was prepared by low frequency, high density, inductively coupled plasma implantation of N into Ti_xSi_y substrate. This leads to the formation of Ti-N and Si-N compounds in the ternary film. Diffusion of copper in the barrier layer after annealing treatment at various temperatures was investigated using time-of-flight secondary ion mass spectrometer (ToF-SIMS) depth profiling, X-ray diffractometer (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray (EDX) and sheet resistance measurement. The current study found that barrier failure did not occur until 650 °C annealing for 30 min. The failure occurs by the diffusion of copper into the Ti-Si-N film to form Cu-Ti and Cu-N compounds. FESEM surface morphology and EDX show that copper compounds were formed on the ridge areas of the Ti-Si-N film. The sheet resistance verifies the diffusion of Cu into the Ti-Si-N film; there is a sudden drop in the resistance with Cu compound formation. This finding provides a simple and effective method of monitoring Cu diffusion in TiN-based diffusion barriers.     

X光光电子能谱法测定胶片中氟,硅和铝的研究

应用Ｘ光光电子能谱法测定了几种彩色胶片表面层中氟的１ｓ能级的结合能；分别比较了水处理前后、溅蚀前后胶片护膜层氟的变化，表明氟化物分布在护膜最表层，是一种易溶于水的氟化物；测定了彩色片护膜层所含硅２ｐ能级的结合能，与自制彩色片护膜层测定结果比较，优质片含一种较多负电性，用与自制片的无机硅不同的硅化物作毛面剂；对溅蚀前后优质片和自产彩色片中的硅铝比变化进行比较，提出优质彩色片Ｆ－４００的护膜层可能是双     

一个用于VHSIC连接线瞬态分析的电路模拟器

本文介绍了一个可对含连接线的电路进行瞬态分析的电路模拟器,该模拟器是在SPICE基础上经修改扩充而成的,连接线的处理采用了文献[1]的方法.文中介绍了方法的基本原理,讨论了数值Laplace反变换时参数的选择与误差的控制.实际VHSIC电路的试算结果表明,该模拟器是相当有效的.     

用于VLSI的SiO_xN_y薄膜的界面陷阱

采用雪崩热电子注入技术研究了用于VLSI的快速热氮化的SiO_xN_y薄膜界面陷阱。给出这种薄介质膜禁带中央界面陷阱密度随氮化时间的变化关系,观察到这种薄膜存在着不同类型的密度悬殊很大的电子陷阱。指出雪崩热电子注入过程中在Si/SiO_xN_y界面上产生两类性质不同的快界面态陷阱,并给出这两种陷阱在禁带中能级位置及密度大小关系;同时还给出禁带中央界面陷阱密度随雪崩注入剂量呈现弱“N”形变化关系,并对实验结果进行了讨论。