C72,La2@C72几何结构和电子性质的计算研究

采用密度泛涵理论(density functional theory,DFT)中的广义梯度近似(generally gradient approximation,GGA)对富勒烯C72和内掺金属La富勒烯La2@C72三种同分异构体的几何结构和电子结构进行研究.发现在C72的三种同分异构体中,满足独立五边形规则(isolated-pentagon-rule,IPR)的C72(D6d)结构最为稳定;在La2@C72三种同分异构体中,有着两对两两相邻五元环(twofused-pentagon)的La2@C72(#10611)结构最为稳定,而满足IPR的La2@C72(D6d)的结构变成了最不稳定结构.从能级图和态密度图分析得知,笼子稳定性的变化与La原子的原子轨道与C72原子轨道之间的杂化有关.Mulliken电荷分析得知,La2@C72(#10611)的两个La原子共转移了约3个电子给C72,并且,它们几乎分布在整个C笼上,形成的电子结构为La23+@C3-72.净自旋分析得知,La2@C72(#10611)中La原子磁性完全淬灭.     

Maximum-entropy data analysis

The reconstruction of physical quantities from (computer-) experimental data is very often hampered by the presence of noise, insufficient information and above all by the ill-posed nature of the underlying inversion problem. It will be demonstrated that the maximum entropy concepts is particularly suited for this type of data-analysis problems. It is based on Bayesian statistics and provides a consistent probabilistic theory to obtain unbiased results, independent of any model assumptions. This is particularly desirable if there is no additional information to justify these hypotheses. If, on the other hand, additional prior knowledge is available, it can be effectively incorporated into the computation, leading to more stringent confidence intervals.     

Frequency Selectivity Behaviour in the Auditory Midbrain： Implications of Model Study

By numerical simulations on frequency dependence of the spiking threshold, i.e. on the critical amplitude of periodic stimulus, for a neuron to fire, we find that bushy cells in the cochlear nuclear exhibit frequency selec- tivity behaviour. However, the selective frequency band of a bushy cell is far away from that of the preferred spectral range in human and mammal auditory perception. The mechanism underlying this neural activity is also discussed. Further studies show that the ion channel densities have little impact on the selective frequency band of bushy cells. These findings suggest that the neuronal behaviour of frequency selectivity in bushy cells at both the single cell and population levels may be not functionally relevant to frequency discrimination. Our results may reveal a neural hint to the reconsideration on the busily cell functional role in auditory information processing of sound frequency.     

Unusual current‐voltage characteristics of single crystalline and bicrystalline La0.7Ca0.3MnO3 films

The current‐voltage characteristics of single crystalline and bicrystalline La_0.7Ca_0.3MnO₃ films were measured and analyzed. Several epitaxial films, as well as 45° [001]‐tilt grain boundaries, display current‐voltage characteristics which are asymmetric with respect to polarity reversal of the bias current. One epitaxial film has a polarity dependent resistance of ～340kΩ and of ～670kΩ in forward and in reverse direction, respectively.     

Excitons in coupled quantum dots

Properties of excitons in vertically coupled GaAs/AlGaAs quantum dots were investigated using the variational method within the envelope function and effective mass approximations. It was found that when the thickness of the spacer layer becomes less than about one exciton Bohr radius, both the exciton binding energy and the fundamental optical transition energy are reduced compared to those in isolated quantum dots. This is a result of increased space extension of exciton due to the penetration of carrier wave functions into the spacer layer and corresponding reduction in confinement energy which dominates over the Coulomb interaction between the electron and the hole.     

On the possibility of designing interacting semiconductor quantum wells with zero perturbation coupling

The paper describes the possibility of designing matched interacting semiconductor quantum wells. It is shown that for a given eigenstate of a quantum well (QW), it is always possible to find another QW in such a way that the coupling leaves the original eigenstate of the host QW unperturbed irrespective of the strength of interaction. For rectangular QWs, the condition is met with whenever the second QW has appropriate width and depth so that phase travelled by an electron wave through it is an integral multiple of π.     

Tunneling of two interacting electrons in a quantum wire

A model calculation is reported for the tunneling probability of one as well as two interacting electrons from a quantum well within a narrow channel. We discuss the cases when the two electrons are spin polarized or unpolarized by transforming the system to a noninteracting one with the use of quantal density functional theory to obtain an effective single-particle confining potential. A semiclassical approach is used to obtain the tunneling probability from this effective potential. The calculation is motivated by recent measurements of the conductance of an electron gas in a narrow channel but is not meant to explain the anomalous behavior that has been reported since, for example, we deal with a simplified two-level system. Numerical results for the tunneling probability are presented.     

Ca3La(BO3)3：Tb3+的合成与发光性质

高温固相反应法合成了Ca₃La(BO₃)₃:Tb³⁺光致发光材料。利用扫描电镜和激光衍射分析仪测定了样品的晶粒形貌及粒径大小分布,利用荧光分光光度计研究了Ca₃La(BO₃)₃:Tb³⁺的光致发光特性。确定了在Ca₃La(BO₃)₃基质中Tb³⁺离子浓度对其发光强度的影响及其自身浓度猝灭机理;探讨了助熔剂Li₂CO₃、敏化剂Ce³⁺离子的加入对荧光粉发光强度的影响。     

Polaron effects on third-harmonic generation in cylindrical quantum-well wires

Polaron effects on third-harmonic generation (THG) in cylindrical quantum wires with a finite confining potential are investigated. The THG coefficient is obtained by using the compact-density-matrix approach and an iterative method, and the numerical results are presented for GaAs/AlAs cylindrical quantum wires. The results show that the THG coefficient is greatly enhanced and the peak shift to the aspect of high energy when considering the influence of electron-phonon interaction.     

超导氧化物La1.85Sr0.15CuO4/超高分子量聚乙烯复合材料的输运性质

采用热压法获得了具有不同混合比例的超导氧化物La1.85Sr0.15CuO4/超高分子量聚乙烯导电复合材料,并利用x射线衍射、扫描电子显微镜和标准四引线方法对复合材料的结构和低温电输运性质进行测量.实验结果显示,超导氧化物La1.85Sr0.15CuO4颗粒随机分布在聚合物本体中,相互间没有连接构成网络结构.在正常态下,复合材料的电阻-温度变化曲线给出类半导体行为.但对应于超导氧化物La1.85Sr0.15CuO4的超导转变温度Tc处,复合材料的电阻-温度变化曲线出现了极小值.室温下电阻率ρ随外加电场强度E的变化曲线测量结果表明,ρ-E曲线为一线形关系,随着电场强度E增加,电阻率ρ下降.文中对可能存在的导电机制进行分析,结果表明隧道贯穿模型可以很好地解释复合材料的导电机制.另外,外加电场强度E对复合材料的电输运特性有明显的影响.