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。     

用二维复式晶格有限集团模型计算聚乙炔的电子结构

以二维复式晶格作为有限系统的集团模型,在紧束缚近似下,计算了π电子在最近邻及次近邻跳跃集团的态密度.讨论了不同结构参数对态密度及带宽的影响.     

极性晶体内表面电子的量子像势及其极化子的有效势

本文从与真空接触的存在二支声子的半无限极性晶体表面附近极化子的哈密顿算符入手，应用二支模型理论，分别对GaAs和ZnO两种材料计算了内表面电子的量子像势及其极化子的有效势。计算结果表明：当Z很小时，经典像势和半经典有效势分别与量子像势和量子有效势相差较大；当Z很大时，经典像势和半经典有效势分别是量子像势和量子有效势的一个很好的近似。     

Momentum Transfer Dependence of Two Types of the Broad Enhancement Phenomena： CO Spectra in the Valence Energy Region

Partial generalized oscillator strength densities of CO molecules related to the excitation of a 5σ or 1π electron are calculated by using multi-scattering self-consistent-field methods.Momentum transfer dependence of two types of the broad enhancement phenomena above the threshold with one-electron character,i.e. shape resonance and non-resonance enhancement,is studied.Our calculations show that the energy position of a non-resonance enhancement is related to the momentum transfer K.Therefore,electron impact based experiments can be used to identify the two types of the broad enhancement phenomena.     

高斯束激光摇摆场中的电子运动轨道分析

对高斯束激光摇摆场中的电子运动轨道进行了分析．推导出轴向导引磁场与反向传播的激光摇摆场作用下的单粒子电子运动轨道，并对轨道的稳定性进行了分析．发现当瑞利长度较大时，得到的结果与平面电磁波摇摆场的结果相一致．与静磁摇摆场的自由电子激光相似，在激光摇摆场中的电子轨道也存在两类分立轨道，但是，与静磁摇摆场不同的是，这两类轨道都是稳定的 关键词：     

La1-xPrxMnO3(x=0.1,0.2)薄膜庞磁电阻性质的研究

一种新的庞磁电阻氧化物薄膜La1-xPrxMnO3(x=0.1,0.2)薄膜用脉冲激光沉积(PLD)方法生长在(100)SrTiO3单晶基底上.XRD结果显示薄膜具有很好的外延单晶取向.电输运和磁性质的研究表明薄膜具有显著的庞磁电阻效应(CMR)效应,其中磁电阻比率达95%(在5T的磁场下).X射线光电子能谱(XPS)的结果表明薄膜体系中Pr离子的价态为+4价,因此该薄膜很可能是电子掺杂的庞磁电阻体系.     

High—Efficiency Organic Double—Quantum—Well Light—Emitting Devices Using 5,6,11,12—Tetraphenylnaphthacene Sub—monolayer as Potential Well

The double-quantum-well organic light-emitting devices of indium-tin-oxide (ITO)/NPB (50nm)/rubrene (0.05nm)/NPB (4nm)/rubrene (0.05nm)/Alq3 (50nm)/LiF (0.5nm)/Al were fabricated, in which N,N-bis-(1-naphthyl)-N,N‘-diphenyl-1,1‘-biphenyl-4,4‘‘‘‘‘‘‘‘-diamine (NPB) is used as a barrier potential or hole transport layer, tris (8-hydroxyquinoline) aluminium (Alq3) used as electron transport layer, and 5,6,11,12-tetraphenylnaphthacene (rubrene) as a potential well and emitter. The brightness can reach 18610cd/m^2 at 13V. The maximum electroluminescent efficiency of the device was 6.61cd/A at 7V, which was higher than that of common dope-type devices. In addition, the electroluminescence efficiency is relatively independent of the drive voltage in the range from 5 to 13V.     

Effect of Bias Step on the I-V Curve in Double-Barrier AlGaAs/GaAs/AlGaAs Resonant-Tunnelling Devices

We investigate the non-equilibrium electron transport properties of double-barrier AlGaAs/GaAs/AlGaAs resonant- tunnelling devices in nonlinear bias using the time-dependent simulation technique. It is found that the bias step of the external bias voltage applied on the device has an important effect on the final current-voltage （I - V） curves. The results show that different bias step applied on the device can change the bistability, hysteresis and current plateau structure of the I - V curve. The current plateau occurs only in the case of small bias step. As the bias step increases, this plateau structure disappears.