Exchange-correlation errors at harmonic and anharmonic orders: the case of bulk Cu

As an aid towards improving the treatment of exchange and correlation effects in electronic structure calculations, it is desirable to have a clear picture of the errors introduced by currently popular approximate exchange-correlation functionals. We have performed ab initio density functional theory and density functional perturbation theory calculations to investigate the thermal properties of bulk Cu, using both the local density approximation (LDA) and the generalized gradient approximation (GGA). Thermal effects are treated within the quasiharmonic approximation. We find that the LDA and GGA errors for anharmonic quantities are an order of magnitude smaller than for harmonic quantities; we argue that this might be a general feature. We also obtain much closer agreement with experiment than earlier, more approximate calculations.     

Electronic properties of magnetically doped nanotubes

Effect of doping of carbon nanotubes by magnetic transition metal atoms has been considered in this paper. In the case of semiconducting tubes, it was found that the system has zero magnetization, whereas in metallic tubes the valence electrons of the tube screen the magnetization of the dopants: the coupling to the tube is usually antiferromagnetic (except for Cr).     

Characteristics of low-leakage deep-trench diode for ESD protection design in 0.18-/spl mu/m SiGe BiCMOS process

This paper proposes a novel low-leakage BiCMOS deep-trench (DT) diode in a 0.18-/spl mu/m silicon germanium (SiGe) BiCMOS process. By means of the DT and an n/sup +/ buried layer in the SiGe BiCMOS process, a parasitic vertical p-n-p bipolar transistor with an open-base configuration is formed in the BiCMOS DT diode. Based on the two-dimensional (2-D) simulation and measured results, the BiCMOS DT diode indeed has the lowest substrate leakage current as compared to the conventional p/sup +//n-well diode even at high temperature conditions, which mainly results from the existence of the parasitic open-base bipolar transistor. Considering the applications of the diode string in electrostatic discharge (ESD) protection circuit designs, the BiCMOS DT diode string also provides a good ESD performance. Owing to the characteristics of the low leakage current and high ESD robustness, it is very convenient for circuit designers to use the BiCMOS DT diode string in their IC designs.     

Effect of oxygenation on electrocatalysis of La0.6Ca0.4CoO3−x in bifunctional air electrode

A vacuum-annealed La_0.6Ca_0.4CoO_3−x was consecutively oxygenated in air at temperatures decreasing from 800 to 100 °C, and its electrocatalytic activities for oxygen reduction and evolution were then measured as a function of the oxygenation temperature. The valence of Co cation, changing between +2 and +3, was found susceptible to annealing either in vacuum or air. The catalytic activities initially decrease monotonically as the oxygenation temperature was decreased from 800 to 300 °C, as a result of increasing oxygen content, and then rise abruptly with the oxygen reduction activity reaching a maximum at 200 °C and the oxidation activity at 150 °C. X-ray photoelectron spectroscopy analysis indicated that the enhancements by the low-temperature oxygenation involved increased OH coverage and less charged cations at surface. The results clearly reveal the importance of the post-calcination annealing process for optimizing the performance of La_0.6Ca_0.4CoO_3−x in air electrode applications.     

一种微透镜阵列的研制

介绍一种利用表面张力的作用、以光纤作材料、用分离的自聚焦透镜制作微透镜阵型的方法，这种方法具有制作工艺简单、无须昂贵设备等优点，用此方法实际制作了具有良好连续面型的微透镜阵列，并对制作的微透镜阵列进行了测试，效果较好。     

硫化氢吸收液的电化学分解条件研究

理想的脱硫工艺应满足体积小、费用低、净化度高、无二次污染等要求。在碱性溶液吸收微量硫化氢时同步进行电解，可有效减小设备体积，并将硫化氢转变为氢气和硫磺，不产生恶性气味。为此，实验研究了温度、浓度、电流密度、pH值等因素对电解阳极过程的影响，确定了适宜的电解条件，并在该条件下进行了吸收实验。结果表明，在最佳电解条件下，硫化钠溶液能充分吸收天然气中经变压吸附提浓的硫化氢（800 mg/m³），吸收率大于99.9％。     

Improvement of AlGaInP light emitting diode by sulfide passivation

The brightness of AlGaInP light emitting diodes (LEDs) has been raised by a factor of 1.12 at 20 mA by sulfide passivation. Meanwhile, the sulfide also can decrease leakage current of AlGaInP LEDs at -2 V to nearly one thousandth of that in the as-fabricated device. The possible causes for the brightness increase of AlGaInP LEDs after sulfide treatment including surface roughness, reduction of Fresnel loss, and effective injection of carriers were demonstrated.     

洼60-H26水平井套铣打捞技术

洼60-H26井是一口中曲率水平井,设计井深1 922 m,由于地面条件的限制,设计采用三维井眼轨道。该井水平段在钻至井深1 801 m时,发生卡钻事故。在卡钻事故处理过程中,采用测卡、爆炸松扣技术取出上部钻具后,应用了不同规格的套铣管对被卡钻具进行套铣,采用间歇式套铣方式实现了大斜度井段(45°-90°)的安全套铣,采用短套铣管完成了时水平井段内φ215．0 mm稳定器的套铣,采用φ228．6 mm套铣管成功套铣水平井段被卡LWD仪器,最后通过震击器震击成功解卡。详细介绍了洼60-H26水平井卡钻事故的处理过程,分析了在水平段处理卡钻事故的难点。该井处理卡钻事故的经验,对以后水平井施工中处理井下事故、打捞贵重仪器具有借鉴价值。     

Enhanced thermal stability of a sputtered titanium-nitride film as a diffusion barrier for capacitor-bottom electrodes

The effect of a thin RuO_x layer formed on the Ru/TiN/doped poly-Si/Si stack structure was compared with that on the RuO_x/TiN/doped poly-Si/Si stack structure over the post-deposition annealing temperature ranges of 450–600°C. The Ru/TiN/poly-Si/Si contact system exhibited linear behavior at forward bias with a small increase in the total resistance up to 600°C. The RuO_x/TiN/poly-Si/Si contact system exhibited nonlinear characteristics under forward bias at 450°C, which is attributed to no formation of a thin RuO_x layer at the RuO_x surface and porous-amorphous microstructure. In the former case, the addition of oxygen at the surface layer of the Ru film by pre-annealing leads to the formation of a thin RuO_x layer and chemically strong Ru-O bonds. This results from the retardation of oxygen diffusion caused by the discontinuity of diffusion paths. In particular, the RuO_x layer in a nonstoichiometric state is changed to the RuO₂-crystalline phase in a stoichiometric state after post-deposition annealing; this phase can act as an oxygen-capture layer. Therefore, it appears that the electrical properties of the Ru/TiN/poly-Si/Si contact system are better than those of the RuO_x/TiN/poly-Si/Si contact system.     

布帮鞋无浆贴合工艺技术

本工艺是对原有工艺的改进，突破了原有布帮鞋不能采用无浆贴合的局限性，对原有工艺中的不足有了很大的改进，提高了生产效率，改善了鞋子外观质量，增加了鞋子的美观性。