用能量自洽法研究部分卤化钙分子CaX (X=Br, Cl, F)的解析势能函数

采用研究解析势能函数的能量自洽法Energy Consistent Method (ECM), 研究了部分卤化钙分子CaX (X=Br, Cl, F) 的C2S+、A2和B2S+态等基态和低激发态的解析势能曲线。并与曾经常使用的Morse 势、Huxley-Murrell-Sorbie (HMS)势和基于实验的Rydberg- Klein-Rees (RKR) 数据进行了比较。结果表明,这些 ECM 势能不仅能与RKR 数据符合得很好,而且还能得到实验方法难以得到、常用的Morse 势和HMS 势函数可能会产生较大误差、但在许多研究中又非常重要的渐近区和离解区的势能数据,得到了物理性质优秀的全程解析势能。     

具有自旋轨道耦合项的Manning-Rosen势的赝自旋对称解

近似研究了具有任意自旋轨道耦合项的Manning-Rosen势的Dirac方程。在赝自旋对称的条件下获得了关联的二分量的旋量及相应的能量方程。最后,对 和Hulthén 势两类特殊情况进行了简单 讨论。     

Neutron halos in the excited states for N=127 isotones

Properties of the ground states and the excited states of N=127 isotones are investigated by using the nonlinear relativistic mean field theory with the interactions PK1. By analyzing the rms of proton and neutron, the single particle energies of valence nucleon and the density distributions of neutron, proton and the last neutron, it can be found that there exists a neutron halo in the excited states of 3d5/2, 4s1/2 and 3d3/2 in 209Pb. It is also predicted that there exists a neutron halo in the excited states of 3d5/2, 4s1/2 and 3d3/2 in 207Hg, 208Tl, 210Bi and 211Po.     

Search for chiral bands in A ～ 110 neutron-rich nuclei

High spin states in A ～ 110 neutron-rich 106Mo, 110Ru and 112Ru nuclei have been reinvestigated by measuring the prompt γ-rays from the spontaneous fission of 252Cf. Two similar sets of bands are observed to high spins in each of three nuclei. Through analyzing of characters of the band structures, the chiral doublet bands are suggested in 106Mo, 110Ru and 112Ru.     

Partial wave analysis of J/ψ→pp(-)π~0 and measurement of J/ψ→pp(-)η, pp(-)η'

Based on 58 million J/ψ data collected with the BES Ⅱ detector at the BEPC, Partial Wave Analysis(PWA) is performed on J/ψ→pp(-)π~0. The new excited baryon N(2065) is confirmed. Clear signals for other N~* states are observed and the corresponding masses, widths and spin-parity are also measured. Processes such as J/ψ→pp(-)η,pp(-)η' are also studied and the branching ratios are measured.     

Acoustic spectroscopy and electrical characterization of SiO2/Si structures with ultrathin SiO2 layers formed by nitric acid oxidation

Ultrathin silicon dioxide (SiO₂) layers formed on Si substrate with nitric acid have been investigated using both acoustic deep-level transient spectroscopy (A-DLTS) and electrical methods to characterize the interface states. The set of SiO₂/Si structures formed in different conditions (reaction time, concentrations of nitric acid (HNO₃), and SiO₂ thickness [3–9 nm]) was prepared. The leakage current density was decreased by post-oxidation annealing (POA) treatment at 250°C in pure nitrogen for 1 h and/or post-metallization annealing (PMA) treatment at 250°C in a hydrogen atmosphere for 1 h. All structures of the set, except electrical investigation, current-voltage (I - V), and capacitance — voltage (C - V) measurements, were investigated using A-DLTS to find both the interface states distribution and the role of POA and/or PMA treatment on the interface-state occurrence and distribution. The evident decreases of interface states and shift of their activation energies in the structures with PMA treatment in comparison with POA treatment were observed in most of the investigated structures. The results are analyzed and discussed.      

Wet-chemical treatment and electronic interface properties of silicon solar cell substrates

On textured n-type silicon substrates for solar cell manufacturing, the relation between light trapping behavior, structural imperfections, energetic distribution of interface state densities and interface recombination losses were investigated by applying surface sensitive techniques. The field-modulated surface photovoltage (SPV), in-situ photoluminescence (PL) measurements, total hemispherical UV-NIR-reflectance measurements and electron microscopy (SEM) were employed to yield detailed information on the influence of wet-chemical treatments on preparation induced micro-roughness and electronic properties of polished and textured silicon substrates. It was shown that isotropic as well as anisotropic etching of light trapping structures result in high surface micro-roughness and density of interface states. Removing damaged surface layers in the nm range by wet-chemical treatments, the density of these states and the related interface recombination loss can be reduced. In-situ PL measurements were applied to optimise HF-treatment times aimed at undamaged, oxide-free and hydrogen-terminated substrate surfaces as starting material for subsequent solar cell preparations.      

N粒子量子态的隐形传送的理论分析

在量子态的隐形传送中,如果要对一个任意N粒子态实现隐形传送,发送者Alice 和接受者Bob 之间须建立一个非局域的2N个纠缠粒子作为量子通道,发送者对需传送的N粒子量子态与属于自己的纠缠对中的粒子分别进行N次Bell基测量,则将有2~(2N)个塌陷态,即有2~(2N)个变换算符,本文推导出变换算符的计算公式,并给出这2~(2N)个变换算符之间的关系,从而使接受者对自己拥有的粒子进行相应的变换大为简便,进一步由变换算符性质分析量子隐形传送的必要条件及成功几率.     

Understanding the stereo‐ and regioselectivities of the polar Diels–Alder reactions between 2‐acetyl‐1,4‐benzoquinone and methyl substituted 1,3‐butadienes: a DFT study

The polar Diels–Alder (DA) reactions of 2‐acetyl‐1,4‐benzoquinone (acBQ) with methyl substituted 1,3‐butadienes have been studied using DFT methods at the B3LYP/6‐31G(d) level of theory. These reactions are characterized by a nucleophilic attack of the unsubstituted ends of the 1,3‐dienes to the β conjugated position of the acBQ followed by ring‐closure. The reactions present a total regioselectivity and large endo selectivity. The analysis based on the global electrophilicity of the reagents at the ground state, and the natural bond orbital (NBO) population analysis at the transition states correctly explain the polar nature of these cycloadditions. The large electrophilic character of acBQ is responsible for the acceleration observed in these polar DA reactions. Copyright © 2008 John Wiley & Sons, Ltd.     

Optical properties of citrate-stabilized CdS nanoparticles

Citrate-stabilized CdS nanoparticles of size 4 nm are obtained by varying the sulfide:citrate ion concentration in a simple aqueous synthesis method. The optical absorption and photoluminescence properties of the nanoparticles are studied. The size of the crystallites is found to be less affected by sulfide:citrate ratio. At lower concentrations of S²⁻, trap state emission is favoured and at higher concentrations excitonic transition is predominant as shown by optical absorption and photoluminescence spectra. Effective surface capping and optimum concentration of S²⁻ leads to the quenching of surface-defect-related emission. Increase in citrate ion concentration is found to increase the intensity of photoluminescence band arising from trap state emission revealing the role of sulfide:citrate ratio on surface modification of CdS nanocrystals. The nanoparticles are hexagonal as shown by the X-ray diffraction and selected area electron diffraction pattern.