端基对分子器件整流性质的影响

利用基于非平衡Green函数加密度泛函理论的第一原理方法,研究了以S(Se)为端基的三并苯环分子夹在两半无限长的Au电极之间构成双探针系统的输运特性,发现体系具有较好的整流效应,最大整流系数达到6;用H取代右端同一位置的一个S（Se）,整流行为明显减弱.分析认为,这种整流是由于分子两端与电极的耦合不对称,使正负偏压下分子能级的移动和空间轨道分布不同所致.比较而言,S端基与电极的耦合导致的整流比Se强. 关键词： 电子输运 整流行为 非平衡Green函数方法     

Correlation between pulse-width and peak luminosity of single-pulse long gamma-ray bursts

With a sample of 21 single-pulse GRBs with redshift measurement and a sample of 65 single-pulse GRBs with pseudo redshift estimated by the luminosity-spectral lag relation, we show that the peak luminosities of GRB pulses are anti-correlated with pulse width, indicating that longer-pulses tend to be dimmer in the gamma-ray band. The anti-correlation is accessible with an internal shock scenario.     

First-principles study for the atomic structures and electronic properties of PbTiO3 oxygen-vacancies (0 0 1) surface

The structural and electronic properties of fully-relaxed PbTiO₃ (0 0 1) oxygen-vacancy surface with PbO and TiO₂ terminations are investigated by first-principles calculations. In contrast to the perfect surface, the smaller surface rumples and interlayer distances have been found. The largest relaxation occurs on the second layer atoms not on the surface layer ones, and some in-gap Ti 3d states at about −1.1 eV below the Fermi-level are observed in the TiO₂-terminated surface caused by oxygen-vacancies. For the PbO-terminated surface, some in-gap Ti 3d states and Pb 6p states also move into the bulk midgap region to become partially occupied, and two different chemical states of the Pb 6s states were found. One is attributed to the bulk perovskite Pb atoms and another one is caused by the relaxation of surface Pb atoms. These theoretical results would give a good reference for the future experimental studies.     

Yb∶Y_3Al_5O_(12)晶体晶格振动光谱的研究

采用提拉法生长Y3Al5O12(YAG)晶体和Yb3 掺杂原子数分数分别为5%,10%,15%,20%,25%,50%和100%的Yb∶Y3Al5O12(Yb∶YAG)晶体。系统表征和分析了Yb3 掺杂浓度对拉曼光谱的影响。随着Yb3 掺杂浓度的增加,晶体的振动模式没有明显的变化,晶体结构没有改变;在370 cm-1和785 cm-1附近,振动吸收峰的半峰全宽逐渐增大。分析得出,Yb3 掺杂浓度对晶体的晶格、对称性、荧光寿命均有影响,从而可能影响到晶体的光谱和激光性能。     

Multiple fire interactions: A further investigation by burning rate data of square fire arrays

This paper presents the first effort to explore the spatial distributions of the burning rates in group fires consisting of a large number of fire points, by analyzing burn-out time data from experimental square fire arrays ranging from 3 × 3 to 15 × 15. A new concept termed fire layer is introduced and defined to characterize the spatial locations of fire points by which the complex spatial variations of burning rates, under different conditions, are analyzed and physically interpreted. Analysis shows that the fire layer burning rates vary from outer to inner in definite nonlinear modes. This indicates that the two fire interaction effects, heat feedback enhancement and air supply restriction, involve distinct spatial fluctuations in fire arrays. The spatial fluctuations of the two interaction effects are significantly affected by the two major parameters, fire spacing and fire array size. Definite spatial regions and parameter ranges for the spatial fluctuations and high competitions of the two interaction effects are clearly distinguished. It is demonstrated that the average burning rates of all fire layers involve consistent variations versus fire spacing or fire array size, especially with high comparability to the entire fire array. It is found that by varying fire spacing, the average burning rates for all fire layers vary linearly versus the fire area ratio, within the same ranges as the entire fire array, while there exist different fluctuation modes of fire layer burning rates with respect to fire array size. Furthermore, analysis shows that the burning rates of all fire layers will be significantly affected by fire merging when it occurs. Finally, a new approach is presented to simulate fire propagation among discrete fuel sources, by which the positive effect of the surrounding new fire points on the burning rates of the original ones is definitely indicated.     

Alignment and efficiency-monitoring method of high-power fiber-to-fiber coupling

High-power fiber-to-fiber coupling is extensively used in fiber laser applications,and its performance is determined by coupling efficiency.We demonstrate a novel method for alignment and monitoring efficiency by detecting backscattering power at the fiber end cap.The relationship between alignment error and backscattering power is determined by simulations and experiments.Through this method,a state-of-the-art kW-level fiberto-fiber optic switch is developed(transmission efficiency>97%).It performs well for longer than 60 min.To the best of our knowledge,it is the first time to establish the mathematical model based on this method.Our results can provide guidance in high-power fiber-to-fiber coupling.     

Discrete breathers in a model with Morse potentials

Under harmonic approximation, this paper discusses the linear dispersion relation of the one-dimensional chain. The existence and evolution of discrete breathers in a general one-dimensional chain are analysed for two particular examples of soft (Morse) and hard (quartic) on-site potentials. The existence of discrete breathers in one-dimensional and two-dimensional Morse lattices is proved by using rotating wave approximation, local anharmonic approximation and a numerical method. The localization and amplitude of discrete breathers in the two-dimensional Morse lattice with on-site harmonic potentials correlate closely to the Morse parameter a and the on-site parameter к.     

Above-threshold detachment of negative ions by circularly polarized few-cycle laser fields

In accordance with nonperturbative quantum scattering theory,we investigate photoelectron angular distributions(PADs) from above-threshold detachment(ATD) of negative ions irradiated by circularly polarized few-cycle laser fields.Electrons ejected on the polarization plane demonstrate distinct anisotropies in angular distributions which distinctly vary with the carrier-envelope(CE) phase.The anisotropy is caused by interference between transition channels;it also depends strongly on laser frequency,pulse duration,and kinetic energy of photoelectrons.Optimal emission of photoelectrons,which varies with CE phase,makes it possible to control photoelectron motion.     

Propagation of optical vortex solitons due to the Gouy phase in strongly nonlocal nonlinear media

In this paper,we present a study on the propagation of the symmetrical optical vortices formed by two collinear Laguerre-Gauss solitons in strongly nonlocal nonlinear media.The optical vortices,which move along the beam axis as the light propagates,result in a rotation of the beam’s transverse profile.This physical reason of the rotation is the Gouy phase acquired by the component beams.     

Ionization-induced electron trapping in ultrarelativistic plasma wakes

The onset of trapping of electrons born inside a highly relativistic, 3D beam-driven plasma wake is investigated. Trapping occurs in the transition regions of a Li plasma confined by He gas. Li plasma electrons support the wake, and higher ionization potential He atoms are ionized as the beam is focused by Li ions and can be trapped. As the wake amplitude is increased, the onset of trapping is observed. Some electrons gain up to 7.6 GeV in a 30.5 cm plasma. The experimentally inferred trapping threshold is at a wake amplitude of 36 GV/m, in good agreement with an analytical model and PIC simulations.