Cr掺杂纤锌矿GaN的磁性和光学性质

采用自旋极化密度泛函理论方法,对Cr掺杂纤锌矿GaN的能带结构和态密度进行计算,通过计算的能带结构和光学线性响应函数,系统讨论了Cr掺杂对纤锌矿GaN电子结构、磁学和光学属性的影响。计算结果显示:Cr掺杂纤锌矿GaN的反铁磁态具有半金属特征,铁磁态具有金属特性和磁性,磁矩主要源于费米能级附近的Cr 3d和N 2p能带发生劈裂导致自旋向上和自旋向下的电子的态密度不同所致。光学性质计算结果显示,Cr掺杂纤锌矿GaN的费米能级附近出现极大的介电峰,具有优异的发光性能,峰值对应于紫外波段,在高能区吸收峰发生了红移现象,在低能区红外波吸收增强。理论计算表明,Cr掺杂纤锌矿GaN可能是一种性能优异的磁光材料。     

闪锌矿GaN(110)表面原子和电子结构的理论计算

在密度泛函理论的基础上,采用平面波赝势方法计算了立方GaN(110)表面的原子和电子结构。结构优化表明最表层原子都向体内弛豫,且金属Ga原子弛豫幅度比非金属N原子大,同时各层层间距呈交错分布。表面弛豫后,最表层原子发生键长收缩的弛豫特性,表面Ga原子趋于形成sp2杂化得到的平面型构形,而表面N原子趋于形成p3型锥形结构。另外,理想立方GaN(110)表面在带隙中有两个明显的表面态,经过弛豫后,分别向价带和导带方向移动,并解释了导带底附近的表面态移动的幅度比价带顶附近的表面态大的原因主要由于表面Ga、N原子弛豫幅度不同引起的。此外,弛豫后,表面电荷重新分布,Ga原子周围的部分电子转移到N原子上。     

闪锌矿GaN(001)表面的电子结构

采用混合基表示的第一原理赝势方法,计算了闪锌矿结构的GaN(001)(1×1)干净表面的电子结构.分析了得到的各原子分态密度、面电荷密度分布以及表面能带结构等性质,比较了GaN(001)的Ga端表面和N端表面两种情况.结果显示,闪锌矿GaN(001)的Ga端表面比N端表面更稳定,这两种(1×1)表面都是金属特性.此外,还讨论了次表面层原子的性质.     

基于第一性原理的Ga-Eu共掺ZnO光电性质的研究

采用基于密度泛函理论的第一性原理方法,分析了Ga-Eu共掺杂ZnO(GEZO)结构的能带结构、态密度、马利肯布居分布以及光学性质。结果表明,计算得到的晶格常数及带隙与实验值一致。Ga,Eu的掺入贡献了导电载流子,使体系的电导率增强。费米能级进入导带,呈现n型导电。从态密度中可知费米能级处出现了由Eu的4f态引入的杂质带,Ga也在导带底处贡献了4p和4s态。原子和键的平均马利肯布居分布表明,Ga,Eu原子的掺入增强了键的离子性。光学性质方面,Ga,Eu的掺入使得介电函数实部和虚部的峰位向低能区转移,吸收率和反射率在可见光区均有提高。     

Ag掺杂ZnO/GaN异质结可见光吸收特性的第一性原理

ZnO/GaN异质结带隙宽度较宽,制约了对可见光的吸收。为研究Ag对ZnO/GaN异质结可见光吸收的影响,在(1-100)非极性面上构建GaN/ZnO异质结,并用Ag分别取代不同位置的Zn和Ga原子,采用第一性原理计算Ag掺杂对ZnO/GaN异质结稳定性、电子结构、光学性质和带边位置的影响。研究结果表明：Ag掺杂ZnO/GaN异质结形成能为负值,结构稳定;Ag置换Zn和Ga使带隙宽度由2.93 eV分别减小至2.7 eV和2.3 eV,吸收系数和光电导产生红移,有利于可见光的吸收,Ag掺杂ZnO/GaN异质结具有良好的光催化活性。     

闪锌矿GaN(001)表面的电子结构

采用混合基表示的第一原理赝势方法 ,计算了闪锌矿结构的 Ga N(0 0 1) (1× 1)干净表面的电子结构 .分析了得到的各原子分态密度、面电荷密度分布以及表面能带结构等性质 ,比较了 Ga N(0 0 1)的 Ga端表面和 N端表面两种情况 .结果显示 ,闪锌矿 Ga N(0 0 1)的 Ga端表面比 N端表面更稳定 ,这两种 (1× 1)表面都是金属特性 .此外 ,还讨论了次表面层原子的性质     

Ga Al In掺杂ZnO电子结构的第一性原理计算

计算了Ga、Al、In掺杂ZnO体系电子结构,分析了掺杂对ZnO晶体的结构、能带、电子态密度、差分电荷分布的影响。所有计算,都是基于密度泛函理论(DFT)框架下的第一性原理平面波超软赝势方法。计算结果表明:在导带底引入了大量由掺杂原子贡献的导电载流子(Ga:2.57×1021cm–3;Al:2.58×1021cm–3;In:2.53×1021cm–3),明显提高了体系的电导率。同时,光学带隙展宽,且向低能方向漂移,可作为优良的透明导电薄膜材料。     

纤锌矿GaN光电性质的第一性原理研究

利用平面渡赝势密度泛函的方法,结合广义梯度近似,对纤锌矿GaN的光电性质进行了研究.对纤锌矿GaN的能带结构、态密度分布、复介电函数和吸收光谱进行了计算.文中分析了纤锌矿结构GaN晶体可能的跃迁及其对应的吸收光谱.结果显示GaN晶体的光学性质与晶体的电子结构直接相关.计算结果为进一步理解和改进纤锌矿GaN的光电性质提供理论基础.     

金属原子吸附对GaN（0001）表面光学性能的调制

基于第一性原理计算，研究了实验中常用的金属（Ni、Ru和Au）等三种原子对GaN（0001）表面光学性质的调控。结果表明，电子从吸附原子中转移到GaN（0001）表面，Ni和Ru的吸附降低了GaN（0001）表面的功函数。在GaN（0001）表面的带隙中引入了杂质能级，使载流子跃迁的势垒高度降低，进而调节其光学性 。可以看到在低光子能量区所有光学曲线的主峰红移，而在高光子能量区所有光学曲线都出现收缩现象，所有光学曲线上特征峰的数量和位置都发生了明显的变化。此外，吸附金属原子后，GaN（0001）表面对可见光甚至红外光的吸收增强了，适用于较长波光的探测。     

氮掺杂浓度对氮掺杂PbTiO3电子结构和光学性能的影响

用第一性原理计算研究了不同N掺杂浓度的P型N掺杂PbTiO3的电荷密度差分、能带结构、态密度和光学性质。用N原子取代PbTiO3中的O原子后,PbTiO3的价带向高能级发生移动,费米能级进入价带顶部。随着N掺杂浓度的增加,能带带隙值变窄,结构稳定性变差。掺杂浓度2.5 at%时,N掺杂PbTiO3显示最好的P型导电性和最强的可见光吸收。N掺杂PbTiO3在半导体光电器件和光催化领域具有重要的应用价值。     

Development of the readout system for waveguide multilayer optical card

Waveguide multilayer optical card （WMOC） is a novel storage device of three-dimensional optical information. An advanced readout system fitting for the WMOC is introduced in this paper. The hardware mainly consists of the light source for reading, WMOC, motorized stages addressing unit, microscope imaging unit, CCD detecting unit and PC controlling ＆ processing unit. The movement of the precision motorized stage is controlled by the computer through Visual Basic （VB） language in software. A control panel is also designed to get the layer address and the page address through which the position of the motorized stages can be changed. The WMOC readout system is easy to manage and the readout result is directly displayed on computer monitor.     

Nanoimprint Lithography -A Next Generation High Volume Lithography Technique

IntroductionNanoimprint Lithography is a well-acknowl-edged low cost, high resolution, large area pattern-ing process. It includes the most promising methods,high-pressure hot embossing lithography (HEL) [2],UV-cured imprinting (UV-NIL) [3] and micro contactprinting (m-CP, MCP) [4]. Curing of the imprintedstructures is either done by subsequent UV-lightexposure in the case of UV-NIL or by cooling downbelow the glass transition temperature of the ther-moplastic material in case of HEL…     

Collinear phase-matching study of terahertz-wave generation via difference frequency mixed in GaAs and Inp

The collinearly phase-matching condition of terahertz-wave generation via difference frequency mixed in GaAs and InP is theoretically studied. In collinear phase-matching, the optimum phase-matching wave hands of these two crystals are calculated. The optimum phase-matching wave bands in GaAs and lnP are 0.95-1.38μm and 0.7-0.96μm respectively. The influence of the wavelength choice of the pump wave on the coherent length in THz-wave tuning is also discussed. The influence of the temperature alteration on the phase-matching and the temperature tuning properties in GaAs crystal are calculated and analyzed. It can serve for the following experiments as a theoretical evidence and a reference as well.     

Effects of the alloy compositions on the phonon-polaritons in ternary mixed crystals

Composition dependence of bulk and surface phonon-polaritons in ternary mixed crystals are studied in the framework of the modified random-element-isodisplacement model and the Bom-Huang approximation. The numerical results for Several Ⅱ - Ⅵ and Ⅲ- Ⅴ compound systems are performed, and the polariton frequencies as functions of the compositions for ternary mixed crystals AlxGa1-xAs, GaPxAS1-x, ZnSxSe1-x, GaAsxSb1-x, GaxIn1-xP, and ZnxCd1-xS as examples are given and discussed. The results show that the dependence of the energies of two branches of bulk phonon-polaritons which have phonon-like characteristics, and surface phonon-polaritons on the compositions of ternary mixed crystals are nonlinear and different from those of the corresponding binary systems.     

Influence of PVK ： NPB hole transporting layer on the characteristics of organic light-emitting devices

A doping system consisting of NPB and PVK is employed as a composite hole transporting layer （CHTL）. By adjusting the component ratio of the doping system, a series of devices with different concentration proportion of PVK ： NPB are constracted. The result shows that doping concentration of NPB enhances the competence of hole transporting ability, and modifies the recombination region of charge as well as affects the surface morphology of doped film. Optimum device with a maximum brightness of 7852 cd/m^2 and a power efficiency of 1.75 lm/W has been obtained by choosing a concentration proportion of PVK ： NPB at 1：3.     

New insert layer structure OLEDs

An insert layer structure organic electroluminescent device（OLED） based on a new luminescent material （Zn（salen）） is fabricated. The configuration of the device is ITO/CuPc/NPD/Zn（salen）/Liq/LiF/A1/CuPc/NPD/Zn（salen）/Liq/LiF/A1. Effective insert electrode layers comprising LiF（1nm）/Al（5 nm） are used as a single semitransparent mirror, and bilayer cathode LiF（1 nm）/A1（100 nm） is used as a reflecting mirror. The two mirrors form a Fabry-Perot microcavity and two emissive units. The maximum brightness and luminous efficiency reach 674 cd/m^2 and 2.652 cd/A, respectively, which are 2.1 and 3.7 times higher than the conventional device, respectively. The superior brightness and luminous efficiency over conventional single-unit devices are attributed to microcavity effect.     

Analysis of error performance on Turbo coded FDPIM

Due to variable symbol length of digital pulse interval modulation（DPIM）, it is difficult to analyze the error performances of Turbo coded DPIM. To solve this problem, a fixed-length digital pulse interval modulation（FDPIM） method is provided. The FDPIM modulation structure is introduced. The packet error rates of uncoded FDPIM are analyzed and compared with that of DPIM. Bit error rates of Turbo coded FDPIM are simulated based on three kinds of analytical models under weak turbulence channel. The results show that packet error rate of uncoded FDPIM is inferior to that of uncoded DPIM. However, FDPIM is easy to be implemented and easy to be combined, with Turbo code for soft-decision because of its fixed length. Besides, the introduction of Turbo code in this modulation can decrease the average power about 10 dBm, which means that it can improve the error performance of the system effectively.     

A method for calculating the center position of collimated light

It is a key problem to accurately calculate beam spots＇ center of measuring the warp by using a collimated laser. A new method, named double geometrical center method （DGCM）, is put forward for the first time. In this method, a plane wave perpendicularly irradiates an aperture stop, and a charge couple device （CCD） is employed to receive the diffraction-beam spots, then the geometrical centers of the fast and the second diffraction-beam spots are calculated respectively, and their mean value is regarded as the center of datum beam. In face of such adverse instances as laser intension distributing defectively, part of the image being saturated, this method can still work well. What＇s more, this method can detect whether an unacceptable error exits in the courses of image receiving, processing and calculating. The experimental results indicate the precision of this method is high.     

Cost-effective test solutions for smart card and other integrated flash applications

From its emergence in the late 1980s as a lower cost alternative to early EEPROM technologies, flash memory has evolved to higher densities and speedsand rapidly growing acceptance in mobile applications.In the process, flash memory devices have placed increased test requirements on manufacturers. Today, as flash device test grows in importance in China, manufacturers face growing pressure for reduced cost-oftest, increased throughput and greater return on investment for test equipment. At the same time, the move to integrated flash packages for contactless smart card applications adds a significant further challenge to manufacturers seeking rapid, low-cost test.     

An improved parallel thinning algorithm with two subiterations

The parallel thinning algorithm with two subiterations is improved in this paper. By analyzing the notions of connected components and passes, a conclusion is drawn that the number of passes and the number of eight-connected components are equal. Then the expression of the number of eight-connected components is obtained which replaces the old one in the algorithm. And a reserving condition is proposed by experiments, which alleviates the excess deletion where a diagonal line and a beeline intersect. The experimental results demonstrate that the thinned curve is almost located in the middle of the original curve connectivelv with single pixel width and the processing speed is high.