四角锥氧化锌的制备及其强蓝光发射性质研究

采用热蒸发锌(Zn)粉的方法制备了大量的ZnO纳米棒状和四角锥状结构。用扫描电子显微镜(SEM)、拉曼光谱(Raman Spectra)和光致发光谱(PL)对样品进行了形貌,结构和发光特性分析。结果表明:合成的ZnO纳米棒具有良好的晶体结构,直径约100～500 nm,长度约2～5μm,还有一些四角锥状结构。在325 nm波长光激发下,有微弱的391 nm带边紫外发射和很强的488 nm蓝光发射,呈现出纳米ZnO优异的蓝光特性,并对其生长机理和发光机理进行了初步的探讨。     

相互作用势对模拟计算单壁碳纳米管物理吸附储氢的影响

采用巨正则Monte Carlo方法模拟氢分子在单壁碳纳米管中的储存与分布,重点研究了Lennard-Jones势、Crowell-Brown势和Silvera- Goldman势对模拟计算单壁碳纳米管物理吸附储氢的影响.计算结果显示,碳纳米管与氢分子间的相互作用宜采用Lennard-Jones势描述;氢分子与氢分子间相互作用的描述则与碳纳米管的管径有关,管径较小时选Lennard-Jones势较佳,管径偏大时取七参数Silvera-Goldman 势更为合理,而三参数Silvera-Goldman势则不宜采用;并给出了相应的理论解释.     

基于信息化平台的光学课程系统改革

一、问题提出 课程建设是高等学校教学改革工程的重要组成部分，是提高教学质量的重要途径。如何在课程建设中体现现代教育思想的先进性、科学性、综合性、开放性的特点，以及怎样合理运用现代教学技术、方法和手段，提高教学质量是当前课程建设中重点研究的问题。为此，从2000年开始，我们基于信息化平台系统地进行了光学课程的教学内容、教学手段和方法、     

Pico-second photoelectric characteristic in manganite oxide La0.67Ca0.33MnO3 films

Ultrafast photoelectric characteristic has been observed in La_0.67Ca_0.33MnO₃ films on tilted SrTiO₃ substrates. A pico-second (ps) open-circuit photovoltage of the perovskite manganese oxide films has been obtained when the films were irradiated by a 1.064μm laser pulse of 25 ps duration. The rise time and full width at half-maximum of the photovoltage pulse are ～300 ps and ～700 ps, respectively. The photovoltaic sensitivity was as large as ～500 mV/mJ.     

Al原子在Pb基底上的沉积过程研究

利用分子动力学方法模拟了Al原子在Pb基底上的沉积过程. 对Al原子在Pb基底(001)面上沉积的形态与Pb原子在Al(001)基底上沉积的形态做了比较. 由于界面间势垒的不同, 两个体系界面间的形态有明显的差异. 分析了基底温度、基底晶面指向、沉积原子的入射动能对界面间原子混合的影响. 模拟结果显示: 随着基底温度升高, 基底原子的可移动性大大增加, 与沉积原子发生较大程度的混合; 入射能的改变对界面间原子的混合影响很小; 基底表面取不同的晶格指向时, 基底与沉积原子间的混合行为也有明显的不同. 利用径向分布函数分析了沉积原子的入射能对薄膜中原子排列有序性的影响. 较高入射能对应更有序的薄膜结构; 由径向分布函数的结构可以推测Al原子在Pb(001)基底表面沉积时界面间可能有金属间化合物生成. 关键词： Pb/Al体系 沉积过程 分子动力学 入射能     

Heisenberg-Virasoro代数的q-形变的量子群结构

构造了水平为零的扭的Heisenberg-Virasoro代数的一个q-形变Hvirq,证明它是一个quasi-hom-李代数.给出该代数的一个非平凡的量子群结构,即它是一个非交换且余交换的Hopf代数.     

Efficient entanglement purification in quantum repeaters

We present an efficient entanglement purification protocol (EPP) with controlled-not (CNOT) gates and linear optics. With the CNOT gates, our EPP can reach a higher fidelity than the conventional one. Moreover, it does not require the fidelity of the initial mixed state to satisfy F>1/2. If the initial state is not entangled, it still can be purified. With the linear optics, this protocol can get pure maximally entangled pairs with some probabilities. Meanwhile, it can be used to purify the entanglement between the atomic ensembles in distant locations. This protocol may be useful in long-distance quantum communication.     

The structure and the potential energy function of AlSO(C_S,X~2A″)

By using the B3P86/aug-cc-pvtz method,the accurate equilibrium geometry of the AlSO(CS,X2A″) molecule has been calculated and compared with available theoretical values.The obtained results show that the AlSO molecule has a most stable structure with bond lengths of R OAl = 0.1864 nm,R OS = 0.1623 nm,R AlS = 0.2450 nm,together with a dissociation energy of 13.88 eV.The possible electronic states and their reasonable dissociation limits for the ground state of the AlSO molecule were determined based on the principle of atomic and molecular reaction statics.The analytic potential energy function of the AlSO molecule was derived by the many-body expansion theory and the contour lines were constructed for the first time,which show the internal information of the AlSO molecule,including the equilibrium structure and stable point.The analysis demonstrates that the obtained potential energy function of AlSO is reasonable and successful and the present investigations provide important insights for further study on molecular reaction dynamics.     

Spectroscopic investigations on NO+(x1∑+,a3∑+,A1Ⅱ) ion using multi-reference configuration interaction method and correlation-consistent sextuple b

Three low-lying electronic states (x¹∑⁺,a³∑⁺,and A¹Ⅱ) of NO⁺ ion are studied using the complete active space self-consistent-field (CASSCF) method followed by highly accurate valence internally contracted multi-reference configuration interaction (MRCI) approach in combination of the correlation-consistent sextuple basis set augmented with diffuse functions, aug-cc-pV6Z. The potential energy curves (PECs) of the NO⁺(x¹∑⁺,a³∑⁺,A¹Ⅱ) are calculated. Based on the PECs, the spectroscopic parameters R_e, D_e, ω_e, ω_eχ_e, α _e, B_e, and D₀ are reproduced, which are in excellent agreement with the available measurements. By numerically solving the radial Schrödinger equation of nuclear motion using the Numerov method, the first 20 vibrational levels, inertial rotation and centrifugal distortion constants of NO⁺(x¹∑⁺,a³∑⁺,A¹Ⅱ) ion are derived when the rotational quantum number J is equal to zero (J = 0) for the first time, which accord well with the available measurements. Finally, the analytical potential energy functions of these states are fitted, which are used to accurately derive the first 20 classical turning points when J = 0. These results are compared in detail with those of previous investigations reported in the literature.     

A comparison of different entransy flow definitions and entropy generation in thermal radiation optimization

In thermal radiation, taking heat flow as an extensive quantity and defining the potential as temperature T or the black body emissive power U will lead to two different definitions of radiation entransy flow and the corresponding principles for thermal radiation optimization. The two definitions of radiation entransy flow and the corresponding optimization prin ciples are compared in this paper. When the total heat flow is given, the optimization objectives of the extremum entransy dissipation principles （EEDPs） developed based on potentials T and U correspond to the minimum equivalent temperature difference and the minimum equivalent blackbody emissive power difference respectively. The physical meaning of the definition based on potential U is clearer than that based on potential T, but the latter one can be used for the coupled heat transfer optimization problem while the former one cannot. The extremum entropy generation principle （EEGP） for thermal radiation is also derived, which includes the minimum entropy generation principle for thermal radiation. When the radiation heat flow is prescribed, the EEGP reveals that the minimum entropy generation leads to the minimum equivalent thermodynamic potential difference, which is not the expected objective in heat transfer. Therefore, the minimum entropy generation is not always appropriate for thermal radiation optimization. Finally, three thermal radiation optimization examples are discussed, and the results show that the difference in optimization objective between the EEDPs and the EEGP leads to the difference between the optimization results. The EEDP based on potential T is more useful in practical application since its optimization objective is usually consistent with the expected one.