识别过渡金属离子的1,8-萘二甲酰亚胺多胺衍生物荧光传感器的研究

设计合成了用以检测过渡金属离子的荧光化学敏感器体系,它们是由1,8-萘二酰亚胺为荧光团,多胺衍生物为金属离子受体组成．在室温下对其光物理性质的研究中发现,在没有加入过渡金属离子时,由于体系内存在有效的光诱导电子转移过程使得荧光团的荧光被淬灭．加入过渡金属离子后,金属离子受体中的氮原子和过渡金属离子之间的配位作用阻断了光诱导电子转移过程,体系的荧光增强．不同的金属离子受体表现出了和过渡金属离子不同的配位识别能力,并且通过荧光的变化传递出受体-金属离子作用的信息．     

半导体抽运Yb：YAG五镜腔KLM激光器理论分析计算

对半导体抽运的Yb∶YAG克尔透镜锁模激光器进行理论分析计算,分析五镜谐振腔和四镜谐振腔的稳区不同,利用稳区范围变化对五镜谐振腔稳定锁模机理做出合理解释.详细计算分析Yb∶YAG激光器内克尔调制效应对锁模的影响,获得最佳腔参量.在腔内没有插入硬光阑的情况下,利用五镜腔实现了Yb∶YAG晶体克尔透镜锁模运转.理论分析和实验结果相符.     

用锌有机源和CO2/H2混合气源PECVD沉积ZnO薄膜

在等离子体作用下,以CO2/H2混合气为氧源,Zn(C2H5)2锌为锌源,在单晶硅上生长出高度择优取向的氧化锌薄膜。X射线衍射分析表明,薄膜为六方结构,c轴高度择优;原子力显微镜观察到晶粒是有规律地按六方排布,薄膜的表面粗糙度较小;从光致发光谱还发现在380 nm处有非常强的紫外峰。     

Formation of Interfacial Layers in LaAlO3/Silicon during Film Deposition

We have studied the interracial reactions between amorphous LaAlO3 thin films and Si substrates, using high- resolution transmission electron microscopy and x-ray photoelectron spectroscopy. It has been shown that the interracial layer between LaAlO3 film and Si substrate chemical states show that the ratio of La 4d3/2 to Al 2p is SiLaxAlyOz. The depth distributions of La, Si and Al of the interfacial layer remains unchanged with the depth compared to that of the LaAlO3 film. Moreover, the Si content, in the interracial layer gradually decreases with increasing thickness of the interracial layer. These results strongly suggest that the Al element is not deficient in the interracial layer, as previously believed, and the formation of a SiLaxAlyOz interracial layer is mainly due to the diffusion of Si from the substrate during the LaAlO3 film deposition. With the understanding of the interracial layer formation, ones can control the interface characteristics to ensure the desired performances of devices using high-k oxides as gate dielectrics.     

Cr-Co-Ga Heusler合金新材料探索和物性研究

通过实验和计算研究了从Co₂CrGa到Cr₂CoGa一系列渐变成分合金(Co_50-xCr_x+25Ga₂₅,x=0—25) 的结构、磁性及输运性质.当Cr不断替代A位Co时,晶体结构逐渐从典型的L2₁结构过渡到Hg₂CuTi结构,晶格常数线性地增大0.69%.合金的磁性从Co_{2 关键词： CrCoGa Hesuler合金 KKR-CPA-LDA计算}     

曲率对有限曲面狭缝阵列传输特性的影响

扩展互导纳法用于研究有限曲面狭缝阵列的传输特性,分析了一维弯曲效应以及单元列数、曲率等因素对磁流分布、散射方向图及频率响应曲线的影响.结果表明,曲面张角是衡量弯曲效应的主要参数. 当曲面张角较大时(120°以上),弯曲效应显著,单元磁流分布剧烈起伏,散射方向图波束展宽且副瓣电平升高,谐振频率、传输带宽及功率透射系数等频率响应特性均发生较大变化.当曲面张角较小时(60°以下),仅边缘附近的单元磁流分布受到曲率影响,散射方向图与传输特性均接近于有限平面阵列,表明此时可近似忽略弯曲效应. 关键词： 频率选择表面 狭缝阵列 传输特性 曲率     

Comparative study of the empirical interatomic potentials and density-functional simulations of divacancy and hexavacancy in silicon

The comparison between three classical potentials and density functional theory (DFT) is performed mainly for divacancy and hexavacancy in Si crystal. According to their performances on the formation energies and structural properties (distortion magnitude, relaxation volume and symmetry), the limitations and validities of classical potentials are discussed. It is found that the outward relaxation directions of EDIP and Tersoff (T3) are contrary to the DFT and Stillinger-Weber (SW) directions (inward), which restrict their application in the structural property calculations. Except for the divacancy symmetries, the results of SW are in agreement with the DFT results. Thus, it can be concluded that SW should be the best potential to describe V₂ and V₆.     

DNA酶裂解-纳米金共振瑞利散射光谱法测定痕量Cu2+

在pH 7.0HEPES(4-羟乙基哌嗪乙磺酸)缓冲溶液中和0.19mol.L-1 NaCl存在下,单链底物DNA(SS)和酶链DNA(ES)在80℃杂交形成双链DNA(dsDNA)。Cu2+可切割dsDNA中的底物链释放出单链DNA(ssDNA),此ssDNA与金纳米粒子(NG)作用形成NGssDNA结合物不被NaCl聚集,而未保护的NG聚集形成较大粒径的聚集体(NGA),在627nm处有一个较强的共振瑞利散射峰。随着Cu2+浓度的增大,该共振瑞利散射峰降低,其降低值ΔI与Cu2+浓度在15～1 250nmol.L-1范围呈线性关系,其回归方程为ΔI=0.17c-2.3,线性相关系数为0.989 5,检出限为8nmol.L-1。据此建立了一个高灵敏、高选择性、简便测定Cu2+的共振瑞利散射光谱分析法。该法用于水样中Cu2+的检测,结果满意。     

New approach for deriving the exact time evolution of density operator for diffusive anharmonic oscillator and its Wigner distribution function

Using the thermal entangled state representation, we solve the master equation of a diffusive anharmonic oscillator (AHO) to obtain the exact time evolution formula for the density operator in the infinitive operator-sum representation. We present a new evolution formula of the Wigner function (WF) for any initial state of the diffusive AHO by converting the calculation of the WF to an overlap between two pure states in an enlarged Fock space. It is found that this formula brings us much convenience to investigate the WF's evolution of any known initial state. As applications, this formula is used to obtain the evolution of the WF for a coherent state and the evolution of the photon-number distribution of the diffusive AHO.     

未钝化和H钝化GaN纳米线的电子结构

用密度泛函理论研究直径为9.5Å,15.9Å和22.5Å,未钝化和H钝化GaN纳米线的能带和态密度.结果表明:未钝化和H钝化GaN纳米线的能隙都是直接带隙,未钝化GaN纳米线的禁带宽度随着直径的增加减小,但是变化不明显,H钝化GaN纳米线的禁带宽度随着直径增大也是减小的,但是减小的幅度比未钝化的大.未钝化GaN纳米线表面N原子的2p电子主要聚集在价带顶,表面Ga原子的4p电子主要聚集在导带底,这两种电子都具有很强的局域性,而且决定着能隙值;加H钝化可以消除表面原子产生的表面效应.