First-Principles Prediction of High-Pressure Phase of CaC6

The lattice dynamics of rhombohedral GaG6 is studied as a function orpressure to probe Its high pressure phase with low superconducting transition temperature using the density functional liner-response theory. The pressureinduced phase transition in CaC6 is attributable to the softening transverse acoustic （TA） phonon mode at the zone boundary X （0.5, 0.0, 0.5） point. The high pressure phase is then explored by performing fully structural optimization in the supercell which accommodates the atomic displacements corresponding to the eigenvectors of the unstable mode of TA（X）. The high-pressure phase is predicted to be a monoclinic unit cell with space group P21/m.     

Diode End-Pumped Passively Q-Switched Nd^3＋：GdVO4 Self-Raman Laser at 1176 nm

A compact diode-end-pumped passively Q-switched Nd^3＋ ：GdVO4/C^r4＋ ：YAG self-Raman laser at 1176 nm is demonstrated. When the To = 80% Cr^4＋：YAG saturable absorber is inserted into the cavity, the maximum Rtaman laser output reaches 175 mW with 3.8 W incident pump power. The optical conversion from incident to the Raman laser is 4.6% and the slope efficiency is 6.5%. The pulse energy, duration, and repetition frequency of the first stokes laser are 4.5μJ, 1.8 ns, and 38.5 kHz, respectively. There is strong blue emission （about 350- 400nm） can be observed in the Nd^3＋ ：GdVO4 crystal when the process of stimulated Raman scattering occurs, which is induced by the upconversion of the Nd^3＋ ions.     

Theoretical Investigation of Femtosecond-Resolved Photoelectron Spectrum of Na2 Molecules

Effect of laser fields on Na2 interaction potentials is studied by calculating the time-resolved photoelectron spectrum （TRPES） with the time-dependent wave-packet method. It is shown that the photoelectron spectrum at different delay times reflects the population in different electronic states. We inspect the periodicity of vibrational motion in neutral states, and map the vibrational wave-packet propagation in corresponding internuclear coordinate.     

利用改进型衍射理论对直边衍射效应的解释

利用改进型衍射理论MTPO（Modified Theory of Physics Optics）对直边衍射现象做出了解释．用数值模拟方法得出了直边衍射场强随衍射角度的变化曲线，并与广泛采用的菲涅耳近似衍射方法结果进行比较，发现在很大的角度空间上，二者所得出的衍射场强与精确解吻合较好．但在入射波的几何传播方向上，即边缘上的衍射场强分布，MTPO方法则具有更高的准确度．     

微型多功能进样技术在AAS中的应用研究--不锈钢食具中微量铬的测定

利用微型多功能进样技术，通过在线吸入十二烷基硫酸钠（SLS）溶液，详细研究了SLS对空气-乙炔火焰原子吸收法测定铬的影响因素。通过在线吸入SLS可以提高铬的吸收灵敏度，1μg／mL Cr的吸光度可达0．18～0．20，并可抑制绝大部分离子的化学干扰。用本法测定不锈钢食具容器浸出液中的微量铬，获得了较为满意的结果。     

A位具有混合价态的钙钛矿氧化物Eu1-xKxTiO3(x＝0.2,0.32)的高温高压合成

以TiO2 和Eu2 O3为原料 ,利用固相反应法在 4.0GPa和 10 90℃下合成了钙钛矿氧化物Eu1-xKxTiO3(x =0 .2 ,0 .32 )。XRD测量表明样品为立方结构。151EuMo　¨ssbauer谱测试给出同质异能移位分别为～ 0mm/s和～ - 13mm/s的两个吸收峰 ,表明Eu离子为 2和 3混合价。在 480和64 80G的磁场范围内只观察到一个线宽为 314 0G、g因子为 2 .0 0的信号 ,这是由Eu2 产生的。在EPR谱上没有观察到Ti3 和A位缺位的信号 ,说明在样品中的Ti在B位是 4价的。在固态反应中 ,Eu3 离子比Ti4 离子更容易被还原。     

R/S统计量的中偏差

在某种弱于标准大偏差条件下,甚至不需要二阶矩假设,给出了R/S统计量的中偏差原理.     

“吕”字形巷道布置的卸压机理分析

利用有限元法分析了综放采场瓦斯巷和回风巷或运输巷采用“吕”字形布置后的卸压机理，得到了上部瓦斯巷宽度对下部回风巷或运输巷卸压效果的定量关系，为改革综放采场巷道布置并提高瓦斯巷抽放效果提供了新的设计思路和可靠依据。     

Majorana stellar representation for mixed-spin (s, 1/2) systems

By describing the evolution of a quantum state with the trajectories of the Majorana stars on a Bloch sphere,Majorana’s stellar representation provides an intuitive geometric perspective to comprehend the quantum system with highdimensional Hilbert space.However,the representation of a two-spin coupling system on a Bloch sphere has not been solved satisfactorily yet.Here,a practical method is presented to resolve the problem for the mixed-spin(s,1/2)system and describe the entanglement of the system.The system can be decomposed into two spins:spin-(s+1/2)and spin-(s?1/2)at the coupling bases,which can be regarded as independent spins.Besides,any pure state may be written as a superposition of two orthonormal states with one spin-(s+1/2)state and the other spin-(s?1/2)state.Thus,the whole initial state can be regarded as a state of a pseudo spin-1/2.In this way,the mixed spin decomposes into three spins.Therefore,the state can be represented by(2s+1)+(2s?1)+1=4s+1 sets of stars on a Bloch sphere.Finally,some examples are given to show symmetric patterns on the Bloch sphere and unveil the properties of the high-spin system by analyzing the trajectories of the Majorana stars on the Bloch sphere.     

高压下富氢高温超导体的研究进展

近年来,高压强极端条件下的富氢化合物成为高温超导体研究的热点目标材料体系.该领域目前取得了两个标志性重要进展,先后发现了共价型H3S富氢超导体(Tc=200 K)和以LaH10(Tc=260 K,–13℃),YH6,YH9等为代表的一类氢笼合物结构的离子型富氢超导体,先后刷新了超导温度的新纪录.这些研究工作燃发了人们在高压下富氢化合物中发现室温超导体的希望.本文重点介绍高压下富氢高温超导体的相关研究进展,讨论富氢化合物产生高温超导电性的物理机理,展望未来在富氢化合物中发现室温超导体的可能性并提出多元富氢化合物候选体系.