Ag-N共掺p型ZnO的第一性原理研究

采用基于密度泛函理论的第一性原理赝势法对Ag-N共掺杂ZnO体 系以及间隙N和间隙H掺杂p型ZnO: (Ag, N)体系的缺陷形成能和离化能进行了研究. 结果表明, 在Ag_Zn和N_O所形成的众多受主复合体中, Ag_Zn-N_O受主对不仅具有较低的缺陷形成能同时其离化能也相对较小, 因此, Ag_Zn-N_O受主对的形成是Ag-N共掺ZnO体系实现p型导电的主要原因. 研究发现, 当ZnO: (Ag, N)体系有额外间隙N原子存在时, Ag_Zn-N_O受主对容易与N_i形成Ag_Zn-(N₂)_{m O}施主型缺陷, 该施主缺陷的形成降低了Ag-N共掺ZnO的掺杂效率因而不利于p型导电. 当间隙H引入到ZnO: (Ag, N)体系时, H_i易与Ag_Zn-N_O受主对形成 受主-施主-受主复合结构(Ag_Zn-H_i-N_O), 此复合体的形成不仅提高了Ag_Zn-N_O受主对在ZnO中的固溶度, 同时还能使其受主能级变得更浅而有利于p型导电. 因此, H辅助Ag-N共掺ZnO可能是一种有效的p型掺杂手段. 关键词： p型ZnO 缺陷形成能 受主离化能 第一性原理     

Thermal effect mechanism of magnetoresistance p-type diamond films

Based on the analysis and the discussion of the influence of thermal ionization energy and various scatterings on magnetoresistance（MR） of p-type diamond films, a revised model of valence band split-off over temperature is put forward, and a corresponding calculation formula is given for the MR of p-type diamond films （Corbino discs）. It is shown that the theoretical calculation that the MR of diamond films changes with temperature is consistent with the experiment. The influence of Fermi energy level on MR of diamond films is discussed. Additionally, the thermal effect mechanism of MR in p-type diamond films is also explored.     

KCl中FH(CN)-的吸收、发射光谱及e-v能量转换机理研究

以扩展离子处理方法(SLC)从理论上研究了KCl中F_H(CN)^-缺陷中心的基态和激发态的特性,理论计算值与F_H(CN)^-在KCl中的吸收、发射光谱的实验值符合得很好。计算了(CN)^-分子在KCl中的本征振动频率,解释了F_H(CN)^-的振动荧光光谱及相应的Raman谱,指出Raman振动谱中峰的劈裂应该来源于(CN)^-分子在KCl中的 关键词：     

p型ZnO薄膜的制备及特性

采用射频磁控溅射在Si片上制备ZnO薄膜，通过离子注入对样品进行N掺杂，在不同温度下进行退火并实现了p型转变.用扫描电子显微镜、X射线衍射和Hall测量对薄膜进行了表征，结果表明薄膜具有良好的表面形貌和高度c轴择优取向，退火后p型ZnO薄膜的最高载流子浓度和最低电阻率分别为1.68×10¹⁶cm^-3和41.5Ω·cm.讨论并分析了退火温度和时间对ZnO薄膜p型转变的影响.     

金刚石膜压阻效应的理论研究

在Fuchs-Sondheimer薄膜理论（F-S理论）和修正的价带分裂模型的基础上,考虑晶格散射、杂质散射和表面散射,通过求解弛豫近似下的Boltzmann方程,利用并联电阻模型从理论上研究了p-型异质外延金刚石膜的压阻效应,给出了压阻效应的计算表达式. 从理论上得到了和实验一致的压阻效应的主要特性. 提出了应力作用下分裂带间距变化的模型,对大应力时饱和压阻的理论和实验误差给出了合理解释.     

The fine structure splitting of the level of lithium in Rydberg states

The Hamiltonian of the four-body problem for a lithium atom is expanded in series. The level shift and level formula of a lithium atom in Rydberg states are achieved by means of the calculation of polarization of the atomic core (including the contribution of dipole, quadrupole and octupole components). We also consider the effect of relativity theory, the orbital angular momentum L and the spin angular momentum S coupling scheme (LS coupling) and high-order correction of the effective potential to the level shift. The fine structure splitting (N=5-12, L=4-9, J=L±1/2) and level intervals in Rydberg states have been calculated by the above-mentioned formula and compared with recent experimental data.     

纳米ZnO薄膜对有机电致发光器件性能的影响

由于有机电致发光器件(Organic light-emitting devices,OLEDs)的主动发光、高亮度等优点,在显示和照明领域有极大的应用前景。报道了纳米ZnO薄膜对这种发光器件性能的影响。在普通有机电致发光器件空穴传输层和发光层之间直接蒸镀一层纳米ZnO薄膜,当纳米ZnO薄膜的厚度为1nm时,器件的电流效率可达3.26cd/A,是没有纳米ZnO薄膜同类器件的1.24倍。适当厚度的纳米ZnO薄膜降低了发光层空穴的浓度,提高了电子和空穴的平衡,从而提高了器件的效率。     

Effect of Post-Annealing on Microstructural and Electrical Properties of N^＋Ion-Implanted into ZnO：In Films

We fabricate p-type conductive ZnO thin films on quartz glass substrates by codoping of In-N using radio frequency magnetron sputtering technique together with the direct implantation of acceptor dopants （nitrogen）. The effects of thermal annealing on the structure and electrical properties of the ZnO films are investigated by an x-ray diffractometer （XRD） and a Hall measurement system. It is found that the best p-type ZnO film subjected to annealed exhibits excellent electrical properties with a hole concentration of 1.22 × 10^18 cm^-3, a Hall mobility of 2.19 cm^2 V^-1 s^- 1, and a low resistivity of about 2.33 Ωcm, indicating that the presence of In may facilitates the incorporation of N into ZnO thin films.     

Effect of Post-Annealing on Structural and Electrical Properties of ZnO:In Films

Indium-doped ZnO(ZnO:In) films are deposited on quartz substrates by rf magnetron sputtering. The effects of post-annealing on structural, electrical, optical and Raman properties are investigated by x-ray diffraction,Raman scattering, Hall measurement and first-principles calculation. The results indicate that all of the ZnO:In films have excellent crystallinity with a preferred ZnO(002) orientation. It is found that the incorporation of In can dramatically increase the intensity of the 274 cm~(-1) Raman mode. However, both post-annealing treatment and increasing O_2 partial pressure in the process of preparing thin films can reduce the intensity of the 274 cm~(-1) mode or even eliminate it, and relax compressive stress of the ZnO:In film judged by analyzing the shifts of the(002) Bragg peaks and E_2(high) mode. Finally, the origin of the 274 cm~(-1) mode is inferred to be the vibration of Zn interstitial(Zni) defects, which play a crucial role in the high electron concentration and low resistivity of ZnO:In films annealed in an appropriate temperature range(450–600℃).     

基于激基复合物纯正发射的有机电致发光器件性能

利用聚合物三苯基二胺衍生物(Poly-TPD)掺杂2,5-双(5-叔丁基-2-苯并恶唑基)噻吩(BBOT)作为器件发光材料,研制了基于激基复合物纯正发射的有机电致发光器件.器件的具体结构为:ITO/PEDOT:PSS(25 nm)/Poly-TPD:BBOT( 1:1,80 nm)/Al(70 nm).研究结果表明,该...