First-Principles Study of Electronic Properties in PbS（1^-00） with Vacancy Defect

Electronic properties of both Pb and S vacancy defects in PbS（1^-00） have been studied using the first-principles density functional theory （DFT） calculations with the plane-wave pseudopotentials. It is found that the density of states （DOS） near the top of the valence band and the bottom of the conduction band is significantly modified by these defects. Our calculation indicates that in the case of S vacancy defects the Fermi energy shifts to the conduction band making it as an n-type PbS （donor）. However, in the case of Pb vacancy, because of the appreciable change of the DOS, the system acts as a p-type PbS （accepter）. In addition, the structural relaxation shows that the defect leads to outward relaxation of the nearest-neighbouring atoms and inward relaxation of the next-nearest neighbouring atoms.     

Quantum search via superconducting quantum interference devices in a cavity

We propose a scheme for implementing the Grover search algorithm with two superconducting quantum interference devices (SQUIDs) in a cavity. Our scheme only requires single resonant interaction of the SQUID-cavity system and the required interaction time is very short. The simplicity of the process and the reduction of the interaction time are important for restraining decoherence.     

强外加电场与大调制度下光折变动力学光栅形成研究

强外加电场与大调制度在光折变效应的研究中已经得到了广泛应用。采用PDECOL算法,严格求解光折变带输运方程,得到外加电场时不同调制度下光折变晶体中随时间变化的空间电荷场、载流子浓度,并讨论了外加电场对它们的影响。通过将物质方程与耦合波方程联立数值求解,可得到光折变光栅形成过程中两波耦合增益系数以及光束条纹相位的变化。模拟结果表明,在强外加电场作用下,两束记录光之间的光强与相位耦合都得到了增强,而原有的解析式忽视了强外加电场与大调制度对空间电荷场相位耦合的影响,此时不再适用。同时发现折射率光栅与记录光束条纹均发生弯曲,并不再保持平行。     

双中心全息记录的矢量分析与记录方向优化

对描述双掺杂晶体非挥发性全息记录动力学过程的Kukhtarev方程进行了矢量分析,分析中考虑了体光生伏特效应和外加电场的作用。在小信号近似的基础上给出了双中心全息记录中记录与固定阶段空间电荷场的矢量解析解。在综合考虑空间电荷场的各向异性以及晶体有效电光系数的各向异性后,给出了双中心全息记录的优化记录方向。结果表明,对(Fe,Mn)∶LiNbO3晶体633nm寻常光记录,优化记录方向主要由有效电光系数决定,光栅波矢与光轴夹角为22°,方位角为30°;对(Fe,Mn)∶LiNbO3晶体633nm非寻常光记录,优化记录方向主要由固定空间电荷场决定,光栅波矢与光轴夹角为44°,方位角为90°。     

类镍等电子系列离子M1,M2,E2禁戒跃迁特性的理论研究

利用基于全相对论框架下的多组态Dirac-Fock理论方法发展起来的程序包GRASP92和新发展的处理辐射跃迁过程的程序REOS99,计算了类镍等电子系列离子(Z=45-95)的基组态3s23p63d10 1S0以及低激发组态3s23p63d94l,3s23p53d104l和3s3p63d104 l(l=s,p,d,f)的能级及其向基态的M1,M2,E2禁戒跃迁概率.通过分析高离化类镍离子在特定的原子序数范围内由于存在能级交叉而产生的强组态相互作用,解释了高离化类镍离子禁戒跃迁概率的反常变化现象,探讨了禁戒跃迁概率受强组态相互作用影响而变化的一般规律.     

利用可调谐半导体激光光谱技术对含尘气体中NH3的测量

利用可调谐半导体激光吸收光谱技术(TDLAS)并结合波长调制,在近红外波段1531.7nm处对常温常压下的NH3进行浓度测量.在10 m的长程吸收池内得到了25×10-6的浓度信号,并且在25×10-5-400×10-6浓度范围内二次谐波信号与浓度具有良好的线性关系.讨论了粉尘颗粒对于二次谐波信号的干扰,并提出了利用激光强度线性拟合解决颗粒对气体测量干扰的方法.     

Josephson Effect of Dilute Bose-Einstein Condensates in Laser-Modulated Double Wells

The Josephson effect of Bose condensates with a weak link created by superposing a far-off-resonant red-detuned laser beam on a double-well potential is theoretically considered. The numerical simulations show that there would be c/ear Josephson effect for this sort of three-well system. The present work gives a feasible scheme to study a new type of weak link which is crucial to investigate experimentally the Josephson effect.     

Enhanced Efficiency of Polymer： Fullerene Bulk Heterojunction Solar Cells with the Insertion of Thin TiO2 Layer near the LiF/A1 Electrode

The insertion layer of TiO2 between polymer-fullerene blend and LiF/AI electrode is used to enhance the shortcircuit current Isc and fill factor （FF）. The solar cell based on the blend of poly[2-methoxy-5-（2＇-ethylhexyloxy）- 1,4-phenylenevinylene] （MEH-PPV） and C60 with the modifying layer of TiO2 （about 20nm） shows the open- circuit Voc of about 0.62 V, short circuit current Isc of about 2.35 mA/cm^2, filling factor FF of about 0.284, and the power conversion efficiency （PCE） of about 2.4% under monochromatic light （50Onto） photoexcitation of about 17mW/cm^2. Compared to ceils without the TiO2 layer, the power conversion efficiency increases by about 17.5%. Similar effect is also obtained in cells with the undoped MEH-PPV structure of ITO/PEDOT：PASS/MEH- PPV/（TiO2）LiF/AI. The improved solar cell performance can be attributed to enhanced carrier extraction efficiency at the active layer/electrode interfaces when TiO2 is inserted.     

Electronic Structures of Wurtzite GaN with Ga and N Vacancies

The electronic band structures of wurtzite GaN with Ga and N vacancy defects are investigated by means of the first-principles total energy calculations in the neutral charge state. Our results show that the band structures can be significantly modified by the Ga and N vacancies in the GaN samples. Generally, the width of the valence band is reduced and the band gap is enlarged. The defect-induced bands can be introduced in the band gap of GMV due to the Ga and N vacancies. Moreover, the GaN with high density of N vacancies becomes an indirect gap semiconductor. Three defect bands due to Ga vacancy defects are created within the band gap and near the top of the valence band. In contrast, the N vacancies introduce four defect bands within the band gap. One is in the vicinity of the top of the valence band, and the others are near the bottom of the conduction band. The physical origin of the defect bands and modification of the band structures due to the Ga and N vacancies are analysed in depth.     

An optical scheme for conditional generation of W state and photon-added coherent state

We propose a simple scheme to generate an arbitrary photon-added coherent state of a travelling optical field by combining an array of degenerate parametric amplifiers and corresponding single-photon detectors. Particularly, when the single-photon-added coherent state is observed by developing the novel technique of Zavatta et al （2004 Science 306 660）, we can simultar/eously obtain the generalized N-qubit W state.