5d过渡金属原子掺杂氮化铝纳米管电子结构、磁性性质的第一性原理计算

采用基于密度泛函理论(DFT)的第一性原理计算方法, 研究了5d过渡金属原子(Lu、Hf、Ta、W、Re、Os、Ir、Pt、Au、Hg)取代AlN纳米管(AlNNTs)中的铝原子或氮原子时体系的几何结构、电子结构和磁性性质; 并且以理想AlN纳米管(AlNNTs)、Al缺陷体系(VAl)和N缺陷体系(VN)的结果作为对比. 研究发现: 5d 原子取代Al(Al5d)时体系的局域对称性接近于C3v, 但是取代N(N5d)时体系的局域对称性偏离C3v对称性较大; 当掺杂的5d元素相同时, Al5d的成键能比N5d的成键能大; 当掺杂体系相同时(Al5d或N5d), 其成键能基本上随着5d原子的原子序数的增大而降低; 掺杂体系中出现了明显的杂质能级, 给出了态密度等结果; 不同掺杂情况的磁矩不同, 总磁矩呈现出较强的规律性. 利用C3v对称性和分子轨道理论解释了过渡金属原子取代Al时杂质能级的产生和体系磁性的变化规律.     

Cr,Cu掺杂Ag电子结构和光学特性的第一性原理研究

基于密度泛函理论的第一性原理平面波超软赝势方法,分别计算了Cr、Cu掺杂Ag晶胞的电子结构和光学特性,计算结果表明,掺杂后Cr、Cu外层电子分别与Ag外层电子发生作用,价带会出现一定展宽;掺杂体系的反射谱和吸收谱在不同波段范围内会发生不同变化,体系的光谱特性发生改变.研究结果对于光电子器件制备及薄膜界面特性研究具有指导意义.     

Temperature Dependence of In-plane Resistivity and Inverse Hall Angle in NLED Holographic Model

In the strange metal phase of the high-Tc cuprates, it is challenging to explain the linear temperature dependence of the in-plane resistivity and the quadratic temperature dependence of the inverse Hall angle. In this paper, we investigate the temperature dependence of the in-plane resistivity and inverse Hall angle in the nonlinear electrodynamics holographic model developed in our recent work. Maxwell electrodynamics and Born-Infeld electrodynamics are considered. Both cases support a wide spectrum of temperature scalings in parameter space. For Maxwell electrodynamics, the T-linear in-plane resistivity generally dominates at low temperatures and survives into higher temperatures in a narrow strip-like manner. Meanwhile, the T-quadratic inverse Hall angle dominates at high temperatures and extends down to lower temperatures. The overlap between the T-linear in-plane resistivity and the T-quadratic inverse Hall angle, if occurs, would generally present in the intermediate temperate regime. The Born-Infeld case with a 0 is quite similar to the Maxwell case. For the Born-Infeld case with a 0, there can be a constraint on the charge density and magnetic field. Moreover, the overlap can occur for strong charge density.     

三元配合物Eu(BA)3PIP和 Eu(BA)3phen的制备与发光性质

合成了邻菲罗啉(phen)衍生物2-苯基-咪唑并 -1,10-菲罗啉(PIP),并以其为第二配体,苯甲酸(BA)为第一配体,制备出新型稀土铕三元有机配合物Eu(BA)₃PIP;在相同条件下,第一配体不变,1,10-菲罗啉为第二配体,还制备出Eu(BA)₃phen。采用元素分析、红外光谱、热重和差热分析等技术对合成的配体PIP及配合物Eu(BA)₃PIP和Eu(BA)₃phen进行了表征。通过发光光谱研究了配合物的发光性质,结果表明第二配体PIP有较大的共轭体系,在紫外光激发下,配合物中的配体可将吸收的能量传递给稀土Eu³⁺离子,表现出较强的Eu³⁺离子的特征发射。两种配合物相比,Eu(BA)₃PIP的发光强度明显大于Eu(BA)₃phen的发光强度,说明适宜的第二配体对配合物有很好的敏化发光作用。     

相空间中离散完整系统的Noether对称性和Mei对称性

研究相空间中离散完整系统的Noether对称性、Mei对称性及其导致的守恒量.利用差分离散变分方法,给出相空间中离散完整系统的差分离散变分原理,建立系统的离散正则方程和能量演化方程;给出系统Noether对称性和Mei对称性的判定条件,得到系统离散形式的Noether守恒量和Mei守恒量及其存在的条件.举例说明结果的应用. 关键词： 相空间 离散完整系统 对称性 守恒量     

Charge transfer of 1 ML C60/Ag（100）

We have measured the synchrotron radiation photoelectron spectra of monolayer C60on Ag（100）, By calculating the intensity ratios between the LUMO bands and the two deeper bands （HOMO and HOMO- 1）, we estimate the amount of the charges transferred from Ag（100） to C60 within the range of 1 e to 1.8 e. The results dismay the expectation of surface superconductivity and afford a good reference for further studies of the monolayer C60/Ag（100） system.     

All-Solid-State Nd:YAG Laser Operating at 1064nm and 1319nm under 885nm Thermally Boosted Pumping

We report a high-effciency Nd：YAG laser operating at 1064 nm and 1319nm, respectively, thermally boosted pumped by an all-solid-state Q-switched Ti：sapphire laser at 885 nm. The maximum outputs of 825.4 m W and 459.4mW, at 1064nm and 1319nm respectively, are obtained in a 8-ram-thick 1.1 at.% Nd：YAG crystal with 2.1 W of incident pump power at 885nm, leading to a high slope efficiency with respect to the absorbed pump power of 68.5% and 42.0%. Comparative results obtained by the traditional pumping at 808nm are presented, showing that the slope efficiency and the threshold with respect to the absorbed pump power at 1064nm under the 885nm pumping are 12.2% higher and 7.3% lower than those of 808rim pumping. At 1319nm, the slope efficiency and the threshold with respect to the absorbed pump power under 885nm pumping are 9.9% higher and 3.5% lower than those of 808 nm pumping. The heat generation operating at 1064 nm and 1319 nm is reduced by 19.8% and 11.1%, respectively.     

Efficient Compound-Cavity Eye-Safe KTP OPO at 1.57 μm Pumped by an Electro-Optic Q-Switched Nd：YAG Laser

An efficient high-energy eye-safe optical parametric oscillator （OPO） based on a type-Ⅱ non-critically phasematched KTP crystal is demonstrated. The KTP OPO is pumped by a quasi-cw diode side-pumped electrooptic Q-switched Nd：YAG laser in a compound-cavity configuration. The maximum output energy of the signal wavelength at 1.57 μm b 66.5 m J, corresponding to an electrical-to-optical conversion efficiency of 4.47% and an optical-to-optical conversion efficiency of 12.1%. The pulse width （FWHM） is about 3.6 ns with a peak power of 18.5 MW. The output energy is insensitive to repetition rate and demonstrates good stability.     

醇改性剂对两种手性农药对映体拆分的影响

对两种手性农药马拉疏磷和粉唑醇进行了对映体的高效液相色谱手性拆分。使用纤维素-三（3,5-二甲基苯基氨基甲酸酯）手性固定相,流动相为正已烷,流动相中添加乙醇、丙醇、异丙醇、丁醇和异丁醇为改性剂,考察了各种醇含量对手性拆分的影响：实验结果显示,该固定相对两种手性农药都具有很好的分离效果。异丙醇、丁醇和异丁醇都适于作马拉疏磷对映体拆分的改性剂,而乙醇和丙醇的效果较差,对于粉唑醇,异丙醇改性剂的效果则相对较好。醇含量对拆分的影响趋势为：醇的含量减少会导致保留增强,分离效果增加。     

尿样及动物组织中甲氧苄氨嘧啶残留量的高效液相色谱-串联质谱测定法

采用微量化样品前处理技术,以固相萃取为净化方法,电喷雾正离子多反应监测方式建立了尿样及动物组织中甲氧苄氨嘧啶残留量的液相色谱-串联质谱联用测定法.检出限为0.1 ng/g,线性范围均大于3个数量级,线性方程的相关系数大于0.999,组织样品和尿样的回收率分别为89%和93%.