Fe0.5Cu0.5BaSrYCu2Oy化合物的结构和超导电性研究

实验采用常压和高压分别制备出含铁的FexCu1-xBaSrYCu2Oy（x= 0～1）系列化合物，本文主要研究x=0.5时样品的结构和超导电性.测量结果显示，高压合成的样品均具有超导电性，对于x=0.5的样品超导转变温度Tc(onset)～57K， Tc(0)～40K，而常压合成的样品当Fe含量x>0.3时均不超导.为此，我们利用透射电子显微镜（TEM）研究了该体系的微观结构特性，并通过电子能量损失谱(EELS)揭示出高压合成导致样品中载流子浓度明显高于常压样品，证明样品制备过程中高压有利于超导电性的形成.同时对高压样品中的缺陷和局域晶体结构畸变进行了深入分析.     

纳米技术新秀:单原子晶体管

 美国康奈尔大学的一个科学家小组研制成由一个钴原子构成的晶体管,钴原子包裹有一层复杂有机化合物,直径仅为10纳米的黄金导线被放置在硅片上,并用这种有机化合物覆盖住。然后在导线上钻一个直径约为1纳米的小孔,制成电源电极和电流电极,再将带有钴原子的有机化合物放置在小孔上,用二氧化硅作绝缘体。哈佛大学另一组科学家也用类似方法研制成单原子晶体管,他们是在黄金电极上放置钒分子,而用氧化铝作绝缘体。单原子或单分子晶体管研究表明,只有在加上一定电压时电流才会通过这类晶体管。此外,将它们放置在磁场中时,通过电流中的电子数量会增加。     

Quantum—Confined Stark Effect of Vertically Stacked Self—Assembled Quantum Discs

We study the electronic energy levels and probability distribution of vertically stacked self-assembled InAs quantum discs system in the presence of a vertically applied electric field. This field is found to increase the splitting between the symmetric and antisymmetric levels for the same angular momentum. The field along the direction from one disc to another affects the electronic energy levels similarly as that in the opposite direction because the two discs are identical. It is obvious from our calculation that the probability of finding an electron in one disc becomes larger when the field points from this disc to the other one.     

金属铀各相电子结构与原子力

锕系元素不仅存在σ，π，δ对称，还出现了φ轨道，而且相对论效应十分明显，作用机理比较复杂，而全电子计算由于对计算机硬件的要求十分苛刻，因而尚难以开展。因而国际上除了做了一些铀、钚化合物的物性研究外，几乎难以找到关于铀钚腐蚀机理的第一原理研究的报道。而用第一原理研究对于一些非镧、锕系元素，如硅、铜、钯等这种研究工作已经开展得很普遍，而且已经用于指导催化和腐蚀研究的实践工作。在LLUL钚科学在挑战专辑中，对于钚的基态性质，采用局域密度近似（简称LDA）和综合梯度近似方法简称GGA）进行了研究，     

Electrical Resistance Measurement of an Individual Carbon Nanotube

Aiming at the difficulty in the electrical resistance measurement, we develop a simple statistical model for the carbon nanotubes adequately dispersed in available insulated liquid and introduce the concept of “the most probability”. Based on this model, we obtain the function between macroscopic resistance R and resistance of an individual nanotube, Ro, from which one can calculate the resistance of an individual nanotube by measuring the macroscopic resistance. By computational simulation, we prove the reliability of the model. Then, we analyse the feasibility of the model when applied to experiment.     

Evolution of Weighted Networks by Duplication-Divergence Mechanism

The duplication and divergence process is ubiquitous in nature and man-made networks. Motivated by the duplication-divergence mechanism which depicts the growth of protein networks, we propose a weighted network model in which topological evolution is coupled with weight dynamics. Large scale numerical results indicate that our model can naturally generate networks with power-law-like distributions of degree, strength and weight. The degree-strength correlation is illustrated as well. These properties are in agreement well with empirical data observed in real-world systems. Furthermore, by altering the retention probability δ, weighted, structured exponential networks are realized.     

d轨道分裂和过渡金属化合物性质的研究

用群的表示来讨论过渡金属化合物中心离子在不同对称场中d轨道分裂 ,并通过群链的分解 ,应用广义Wigner-Eckart定理来研究d轨道分裂能。然后进一步解释过渡金属二硫属化合物电子结构、电学性质的特点和宝石的致色机理     

Na3的电子结构与构形

应用离散变分方法，计算了Ｎａ３的基态势能面，并由此得到平衡构形参数、振动频率、Ｊａｈｎ－Ｔｅｌｌｅｒ稳定能Ｊａｈｎ－Ｔｅｌｌｅｒ局域能等，所得结果与实验符合得较好。     

对正项级数敛散性判别法的关系的一些探讨

先对正项级数敛生判别法的粗细与强弱问题进行了辨析，然后建立了三个有关正项级数剑散判别的命题，分别比较了三组判别法之间的强弱关系。