A STUDY ON ABSORPTION OF Na ATOMS ON Si(100) 2×1 SURFACES WITH DV-Xα METHOD

The Na absorption on Si(100) 2×1 surface is studied with quantum chemistry molecular cluster method. The calculated results show that the most favourable absorption site of Na is the cave site and the charge transfer of Na atom to Si is large when the Na coverage is smaller than 0.5 monolayer (ML). A Na chain is formed along the cave sites at the 0.5 ML Na coverage, the charge transfer then becomes small. The calculated density of states show that the Na atoms are metallic along the chain. At 1 ML coverage, the Na atoms occupy both the cave and pedestal sites and form a double-layer. There is a charge transfer of 0.5e from each Na atom to the Si surface. The calculated surface energy shows that the saturation absorption of Na on Si surface is 1 ML.     

Czochralski晶体生长中非定常热对流过程的数值模拟

本文应用有限控制体算法,采用中心差分格式处理具有Boussinesq近似的N-S方程的对流和扩散通量项,计算了无坩埚和籽晶旋转情况下CZ晶体生长中熔体的非定常自然对流。数值计算的结果得到了某些典型时刻的流场结构和温度分布情况。结合计算得到的CZ熔体总动能和总热能随时间变化的规律,分析了流场和温度场的不稳定变化过程。此外,计算结果还给出了在非稳定热对流影响下的晶-液界面热通量的变化。非定常计算的结果对于研究自然对流和CZ单晶生长,具有理论和实际意义。 关键词：     

关于推广的KdV方程的孤波解

修正了文献[5]中推广的KdV方程传播波解的形变理论,并提出了一个相关的代数方程有非零实根的充要条件,从而指出了文献[5]中的一个分析错误。最后直接从推广的KdV方程本身给出了由形变理论生成的孤波解的显式公式。 关键词：     

透射强度比X射线荧光光谱法测定金属镀层组分

本文介绍了X射线荧光光谱透射强度比测定中等可变厚度金属镀层的组分方法。采用镀层元素强度和基片透射强度之比对镀层元素镀布分量制作工作曲线。     

大鼠脑组织含磷代谢物随年龄变化的NMR研究

随着人口老龄化的不断加剧,衰老相关疾病已成为全球关注的问题.神经系统功能的退行性改变居于衰老相关疾病的首位,其机制尚不明了.该文旨在通过核磁共振磷谱(~(31)P NMR)检测不同月龄大鼠脑组织中小分子物质的改变,明确能量相关的含磷化合物随大鼠年龄增长的变化,从而揭示脑组织中年龄相关代谢物的变化规律.该研究萃取了不同年龄(幼年、中年及老年)Sprague-Dawley(SD)大鼠脑组织中的小分子物质,进行了~(31)P NMR检测分析.结果显示:老年大鼠脑组织中能量代谢相关物质——磷酸肌酸的含量显著升高,而磷脂酰胆碱及磷酸肌醇含量显著降低,并且出现了磷酸化葡萄糖.这一发现有助于理解衰老相关的脑结构和功能下调,为神经退行性疾病的发生提供依据.     

Growth and Characterization of A1GaN/A1N/GaN HEMT Structures with a Compositionally Step-Graded A1GaN Barrier Layer

A new A1GaN/A1N/GaN high electron mobility transistor （HEMT） structure using a compositionally step-graded A1GaN barrier layer is grown on sapphire by metalorganic chemical vapour deposition （MOCVD）. The structure demonstrates significant enhancement of two-dimensional electron gas （2DEG） mobility and smooth surface morphology compared with the conventional HEMT structure with high A1 composition A1GaN barrier. The high 2DEG mobility of 1806 cm2/Vs at room temperature and low rms surface roughness of 0.220 nm for a scan area of 5μm×5 μm are attributed to the improvement of interracial and crystal quality by employing the stepgraded barrier to accommodate the large lattice mismatch stress. The 2DEG sheet density is independent of the measurement temperature, showing the excellent 2DEG confinement of the step-graded structure. A low average sheet resistance of 314.5Ω/square, with a good resistance uniformity of 0.68%, is also obtained across the 50 mm epilayer wafer. HEMT devices are successfully fabricated using this material structure, which exhibits a maximum extrinsic transconductance of 218 mS/ram and a maximum drain current density of 800 mA/mm.     

Excited State Properties of Fluorine-Substituted Hexabenzocoronene： A Quantum-Chemical Characterization

The first fluorine-substituted hexabenzocoronene has been synthesized and its electronic structure and optical properties have been reported [Q. Zhang, et al., Org. Lett. 7 （2005） 5019]. In this letter, the electronic structure and excited state properties of the fluorine-substituted hexabenzocoronene are studied with quantum chemistry method as well as the transition and the charge difference densities. The transition densities show the orientations and strength of the dipole moments and the charge difference densities reveal the orientation and results of the intramolecular charge transfer. The calculated transition energies and oscillator strengths are consistent with the experimental data, and the theoretical results of transition and charge difference densities are valuable to understanding the excited state properties of the fluorine-substituted hexabenzocoronene.     

对一个力学碰撞问题的讨论

对普通物理力学中有关碰撞的一个问题,从恢复系数e的取值角度出发,进行了详细求解和讨论,得到了更完整的结果.     

ICP-AES测定高纯碲中11种杂质元素

电感耦合等离子体原子发射光谱法 (ICP- AES)同时测定高纯碲中 11种杂质元素。用离峰扣背景法消除背景干扰 ,检出限能满足高纯碲中杂质元素的测定要求 ,加标回收率在 94 .0 %— 10 8%之间。