C掺杂金红石结构TiO_2的第一性原理研究（英文）

利用基于密度泛函的第一性原理研究了非磁性轻元素C掺杂金红石TiO_2的性质,这在自旋电子和红外电子领域具有潜在的应用前景.结果显示:C原子更倾向于形成铁磁耦合并围绕在Ti原子周围,每个C原子的磁矩大约为1.3μB.体系的铁磁性来源于p-d轨道杂化和类p-d杂化的p-p耦合共同作用,p-p耦合主要来自类p-t_(2g)和价带p态耦合.     

铌酸锂晶体电子结构和光学性质计算

使用基于从头计算平面波赝势法的CASTEP量化软件计算了铌酸锂(LiNbO3)晶体的电子能带结构和线性光学系数,采用耦合微扰方法(CPHF)计算了铌酸锂晶体的非线性光学系数.折射率和倍频系数的计算结果与实验结果基本符合,计算表明铌酸锂晶体中Nb原子的4d轨道电子态和O原子的2p轨道电子态发生了明显杂化.通过分析铌酸锂晶体的价带顶和导带底电子态密度的组成特点可知这些轨道电子态的杂化是其非线性光学效应的主要来源,同时计算还表明铌酸锂晶体中Li-O键具有明显的共价键性.     

C20富勒烯分子及C±20富勒烯离子特性分析与比较

以C1对称C20富勒烯分子为模型,在Gussion03上做了结构优化、频率计算以及自然键轨道理论(NBO)计算,并在同样的方法和基组下分别对C20分子得失一个电子的情况做了计算,并进行了分析和比较.结果表明:C1对称C20富勒烯分子不稳定,易于得失电子而以离子形式存在.C20,C+20,C-20三者的能量关系为:EC20＞EC+20＞EC-20,C20更容易得到电子,成为C-20.三种分子的能隙关系为:ΔEC20＞ΔEC+20＞ΔEC-20,说明C20分子带电后电子性质更活泼.C+20富勒烯离子的杂化方式最接近sp2杂化     

利用受激拉曼跃迁制备原子－光子的杂化纠缠态

提出了一种利用玻色-爱因斯坦凝聚体中三能级原子与一束较弱的相干态探测光和一束较强的经典耦合光相互作用产生受激拉曼跃迁制备原子－光子杂化纠缠态的理论方案。研究了探测光场与原子间的相互作用强度、双光子失谐量和处在基态的原子间的相互作用强度对制备杂化纠缠态的影响。结果表明,通过增加探测光场与原子间的相互作用强度或减小双光子失谐量,能够更快地制备纠缠程度更高的原子－光子杂化纠缠态。     

PbZR0.5Ti0.5O3电子结构的理论研究

计算了铁电固溶体PbZr0.5Ti0.5O3的态密度、能带结构及（100）平面的电子密度图。通过对它的态密度和能带的分析，发现在PbZr0.5Ti0.5O3中钛原子的d电子与氧原子的P电子间存在强烈的轨道杂化，这种杂化对锆钛酸铅的铁电性有着重要的作用。和纯钛酸铅一样，铅原子对PbZr0.5Ti0.5O3的铁电性的存在也有重要作用。     

会聚圆偏振强激光场中的原子离化理论

近几年来,强激光场作用下的原子行为,特别是在激光场中原子离化过程的研究吸引了很多人的兴趣。理论上,在处理原子离化问题时,一个很重要的问题是怎样处理有激光场存在时的电子离化态。最早的KFR模型采用忽略原子库仑势对离化电子的作用后的平面波形式的Volkov解。随后,一些研究者在考虑了原子库仑场的影响后,得到了离化电子波函数的类Volkov的库仑连续态,并在此基础上处理了原子离化问题。     

掺有BN纳米点石墨烯纳米带的电子结构和输运性质的第一性原理研究

利用第一性原理研究了含有BN纳米点的扶手椅型石墨烯纳米带的电子结构和输运性质。研究发现,能带结构与BN纳米点的几何形状、尺寸以及纳米点浓度密切相关。由于电子-空穴对的对称性,使得费米能级附近的价带和导带几乎关于费米能级是对称的。对于含有三角形BN纳米点的石墨烯纳米带,当B和N交换时,价带和导带正好关于费米能级相互倒置。而且,由于C原子和多余B原子(或多余N原子)之间的轨道杂化,使得在费米能级附近形成一条局域的能带。另外,当电子在含有BN纳米点的石墨烯纳米带中输运时,在电导谱中会出现一系列的共振峰,其依赖于BN纳米点之间的距离和纳米点的形状。由此通过控制这些参数可以调制系统的电子响应。     

腔耦合双J-C模型中原子纠缠的猝灭和猝生

研究了腔间有耦合的双J-C模型中原子纠缠的动力学, 分析了腔间耦合系数A和原子的初态对原子纠缠的猝灭(ESD)和猝生(ESB)的影响. 通过对原子间共生纠缠度的数值分析发现, 当原子初态为第一类类Bell态时, 不会出现ESD和ESB, 腔间的耦合可使原子的纠缠加大, 并能使初态为分离态的原子产生纠缠. 当原子初态为第二类类Bell态时, A的大小可改变出现ESD与ESB的时间间隔, 或决定是否出现ESD, 但腔间的耦合不能使初态不纠缠的原子产生纠缠.     

AlGaAs∶Sn混晶中的两类类DX中心

在测得Al0.26Ga0.74As∶Sn混晶中两类类DX中心的电子热俘获势垒精细结构后,研究和确定了其相关的束缚能、晶格驰豫能和光离化能.采用第一原理赝势法的计算和分析结果表明,Sn施主杂质次近邻Al/Ga原子的不同局域组分所引起的Sn杂质及其最近邻As原子的不同晶格驰豫,是产生两类类DX中心能级精细结构的主要原因.     

4,5-二氮杂芴光电材料的合成及薄膜器件的应用

氮杂芴类是构筑有机、聚合物半导体的重要单元,已经成为塑料电子领域研究的热点.对比芴类单元,二氮杂芴具有配位超分子作用与强电子亲合能双层功能,因此,该类半导体材料延伸了芴类半导体在有机薄膜器件、生物传感以及医学中的应用.目前,4,5-二氮杂芴类材料已被广泛应用于电子传输材料、有机发光类材料、敏化太阳能电池、发光配合物、传感材料及其杀菌材料等方面,文中重点描述了4,5-二氮杂芴光电材料的合成以及薄膜器件应用.     

Resolution Enhancement Technology:Integrated Process Solutions using OPC

DUV lithography, using the 248 nm wavelength, is a viable manufacturing option for devices with features at 130 nm and less. Given the low kl value of the lithography, integrated process development is a necessary method for achieving acceptable process latitude. The application of assist features for rule based OPC requires the simultaneous optimization of the mask, illumination optics and the resist.Described in this paper are the details involved in optimizing each of these aspects for line and space imaging.A reference pitch is first chosen to determine how the optics will be set. The ideal sigma setting is determined by a simple geometrically derived expression. The inner and outer machine settings are determined, in turn,with the simulation of a figure of merit. The maximum value of the response surface of this FOM occurs at the optimal sigma settings. Experimental confirmation of this is shown in the paper.Assist features are used to modify the aerial image of the more isolated images on the mask. The effect that the diffraction of the scattering bars (SBs) has on the image intensity distribution is explained. Rules for determining the size and placement of SBs are also given.Resist is optimized for use with off-axis illumination and assist features. A general explanation of the material' s effect is discussed along with the affect on the through-pitch bias. The paper culminates with the showing of the lithographic results from the fully optimized system.     

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.     

Theoretical analysis of the relationship between the Brillouin gain coefficient and the strain in the optical-fiber sensors

The relation between the power of the Brillouin signal and the strain is one of the bases of the distributed fiber sensors of temperature and strain. The coefficient of the Bfillouin gain can be changed by the temperature and the strain that will affect the power of the Brillouin scattering. The relation between the change of the Brillouin gain coefficient and the strain is thought to be linear by many researchers. However, it is not always linear based on the theoretical analysis and numerical simulation. Therefore, errors will be caused if the relation between the change of the Brillouin gain coefficient and the strain is regarded as to be linear approximately for measuring the temperature and the strain. For this reason, the influence of the parameters on the Brillouin gain coefficient is proposed through theoretical analysis and numerical simulation.     

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.     

Novel fiber-optical interferometer with miniaturized probe for in-hole measurements

Today, micro-system technology and the development of new MEMS （Micro-Electro-Mechanical Systems） are emerging rapidly. In order for this development to become a success in the long run, measurement systems have to ensure product quality. Most often, MEMS have to be tested by means of functionality or destructive tests. One reason for this is that there are no suitable systems or sensing probes available which can be used for the measurement of quasi inaccessible features like small holes or cavities. We present a measurement system that could be used for these kinds of measurements. The system combines a fiber optical, miniaturized sensing probe with low-coherence interferometry, so that absolute distance measurements with nanometer accuracy are possible.     

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.     

Study of waveguide coupling efficiency in hybrid silicon lasers

This paper presents a new method to increase the waveguide coupling efficiency in hybrid silicon lasers. We find that the propagation constant of the InGaAsP emitting layer can be equal to that of the Si resonant layer through improving the design size of the InP waveguide. The coupling power achieves 42% of the total power in the hybrid lasers when the thickness of the bonding layer is 100 nm. Our result is very close to 50% of the total power reported by Intel when the thickness of the thin bonding layer is less than 5 nm. Therefore, our invariable coupling power technique is simpler than Intel＇s.     

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.     

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.