Optical constants of aluminum films prepared by electron beam evaporation

The metal aluminum （Al） is widely used because it has high reflectivity from the ultraviolet to the infrared band. But the new deposited Al films is exposed to the atmosphere, it forms transparent Al2O3 films on its surface at once. In this letter, the Al films is deposited on the quartz substrate by electron beam evaporation. The effect of Al films oxidation on refractive index and extinction coefficient is investigated by spectroscopic ellipsometry （SE）. The optical constants of Al films change with the increase of oxidation time. The two parameters become stable when these films are exposed in air more than 2 days.     

Time-dependent density functional theoretical studies on the photo-induced dynamics of an HCI molecule encapsulated in C60 under femtosecond laser pulses

By using first-principles simulations based on time-dependent density functional theory, the chemical reaction of an HCl molecule encapsulated in C60 induced by femtosecond laser pulses is observed. The H atom starts to leave the Cl atom and is reflected by the C60 wall. The coherent nuclear dynamic behaviors of bond breakage and recombination of the HCl molecule occurring in both polarized parallel and perpendicular to the H-Cl bond axis are investigated. The radial oscillation is also found in the two polarization directions of the laser pulse. The relaxation time of the H-Cl bond lengths in transverse polarization is slow in comparison with that in longitudinal polarization. Those results are important for studying the dynamics of the chemical bond at an atomic level.     

Time-dependent density functional theoretical studies on the photo-induced dynamics of an HCl molecule encapsulated in C_(60) under femtosecond laser pulses

By using first-principles simulations based on time-dependent density functional theory,the chemical reaction of an HCl molecule encapsulated in C60induced by femtosecond laser pulses is observed.The H atom starts to leave the Cl atom and is reflected by the C60wall.The coherent nuclear dynamic behaviors of bond breakage and recombination of the HCl molecule occurring in both polarized parallel and perpendicular to the H–Cl bond axis are investigated.The radial oscillation is also found in the two polarization directions of the laser pulse.The relaxation time of the H–Cl bond lengths in transverse polarization is slow in comparison with that in longitudinal polarization.Those results are important for studying the dynamics of the chemical bond at an atomic level.     

金属氧化物薄膜在中波红外光谱区内光学常数色散特性

基于金属氧化物薄膜材料在中波红外波段应用的需求,研究了含水状态的TiO2、HfO2、Ta2O5和Y2O34种金属氧化物薄膜在中波红外波段内(2.5~5μm)光学常数的色散特性。利用电子束蒸发沉积技术,在超光滑的硅表面制备了4种氧化物薄膜,基于洛仑兹振子介电常数色散模型,通过透射率光谱反演计算了4种氧化物薄膜的光学常数。研究结果表明:4种氧化物均有少量的水分子、羟基,水含量从少到多的薄膜依次为TiO2、HfO2、Ta2O5和Y2O3,在远离水吸收的位置,消光系数从小到大的薄膜分别为TiO2、HfO2、Ta2O5和Y2O3;在电子束蒸发沉积工艺条件下,为了降低水的影响,TiO2和HfO2是中红外波段较为理想的金属氧化物薄膜材料。     

周期结构薄膜在折射率色散下反射区特性研究

周期性结构是光学薄膜设计的基本物理模型,给出了反射区中心波长的一般性条件,研究了在膜层材料存在折射率色散情况下,等厚周期结构和非等厚周期结构的薄膜反射区中心波长与带宽特性.研究结果表明:在等厚和非等厚周期结构中,考虑膜层材料折射率色散与忽略色散情况相比,中心波长向长波方向移动,反射级次与相对波数的线性关系偏离;在薄膜光学厚度一定的非等厚周期结构中,高折射率层光学厚度大于低折射率层时,反射级次与相对波数的线性关系偏离度高;非等厚周期结构薄膜的带宽在低反射级次上小于等厚周期结构,同时膜层的色散对反射带宽影响不大.     

斯替宁碱的合成方法研究进展

具有1H-吡咯并[1,2-a]氮杂和多取代全氢吲哚结构的斯替宁碱是百部生物碱的代表性结构,其多环结构和连续的七个手性中心对不对称合成化学极具挑战性.按斯替宁碱合成中使用的关键方法分类,对斯替宁碱的合成研究进展进行了综述.     

Microstructure and optical properties of Ge films prepared by ion beam assisted deposition

Germanium （Ge） films are prepared on BK7 glass and multispectral zinc sulfide （m-ZnS） substrates by ion beam assisted deposition （IBAD）. The effects of substrate temperature, deposition rate, and ion energy on the microstructure and optical properties of the films are investigated. It can be concluded that Ge film deposited with higher rate or ion energy has more optical absorption, while ion energy below 150 eV helps to reduce film absorption. Film refractive index increases with film deposition rate and bombardment ion energy while it is below 300 eV. And higher growth rate or bombardment ion energy can weaken film diffraction intensity.     

Photoabsorption Spectra of （SiO2）n （n ≤ 5） Clusters on the Basis of Time-Dependent Density Functional Theory

The photoabsorption spectra of （SiO2）n （n = 2-5） clusters [including isomers （D3h, D2d） structures of （SiO2）3 and （C2v, D2h, D4h） structures of （SiO2）4] are calculated by using time-dependent density-function theory. The equilibrium geometries, the binding energy, the gap between the highest occupied and lowest unoccupied molecular orbitals and vertical ionization potential for corresponding structures are computed using several methods with different types of the basis functions. It is found that the polarizability functions are necessary for the basis functions when optimize the structures of silicon oxide clusters. For different geometries of various clusters and the related isomers, their spectra are very different. Meanwhile, the comparison between using local-density generalized-gradient approximations for exchange-correlation potentials shows that both the calculated spectra present the same spectral feature. We suggest that the calculated photoabsorption spectra could be taken as a tool to elucidate the isomers and dusters structure.     

地球等离子体边界层扰动的小波分析方法

利用ClusterⅡ卫星的磁场数据，采用小波联合参数估计方法，研究了地球等离子体边界层磁场扰动的多尺度特征，计算了指定尺度内的等离子体边界层中扰动的相对功率，对2001年10月1日发生的磁场重联事件进行了分析．结果显示：在小尺度时间段（≈0．24～1．00s）和大尺度时间段（≈0．96～4．00s）磁场在09：40～09：50UT的扰动很强烈，而且具有间断性；在09：30UT和10：00UT时间点前也有较小的扰动．将该事件与2002年9月18日的非磁场重联事件数据分析结果比较，证实了小波参数估计能够很好地有效地快速地分析磁尾磁场数据的多尺度的扰动现象．     

射频磁控溅射法制备SnS薄膜及其结构和光学特性

利用射频磁控溅射法在玻璃衬底上沉积SnS薄膜并对其进行快速退火处理,利用X射线衍射(XRD)、拉曼光谱(Raman)、X射线能量色散谱(EDS)、原子力显微镜(AFM)和紫外-可见-近红外(UV-Vis-NIR)分光光度计研究了不同溅射功率(60~120 W)条件下制备的SnS薄膜的晶体结构、物相组成、化学组分、表面形貌以及有关光学特性。结果表明:经快速退火的薄膜均已结晶,提高溅射功率有利于改善薄膜的结晶质量、生长择优取向程度和化学配比,薄膜的平均颗粒尺寸呈增大趋势;溅射功率为100 W的薄膜样品的结晶质量和择优取向度高,薄膜应变最小,且为纯相SnS薄膜,Sn/S组分的量比为1∶1.09,吸收系数达10~5cm~(-1)量级,直接禁带宽度为1.54 eV。