铋化物发光玻璃中银表面等离激元对铒离子的发光增强作用

局域表面等离激元可以由自由空间的光直接激发,这也是局域表面等离激元的优点所在。研究铋化物发光玻璃中纳米银颗粒的表面等离激元对铒离子发光的增强效应、进一步的提高铋化物发光玻璃中铒离子的发光性能很有意义。首先,测量了(A)Er 3+(0.5%)Ag(0.5%):铋化物发光玻璃与(B)Er 3+(0.5%):铋化物发光玻璃样品的吸收谱,发现(A)Er 3+(0.5%)Ag(0.5%):铋化物发光玻璃在约600.0 nm处有一个较弱的宽的银表面等离激元共振吸收峰。同时发现两者都有典型的铒离子的吸收峰,它们的吸收几乎完全一样:在波峰形状、峰值强度和峰值波长等方面都很相近。测量了(A)Er 3+(0.5%)Ag(0.5%):铋化物发光玻璃和(B)Er 3+(0.5%):铋化物发光玻璃样品的激发谱,发现有位于379.0,406.0,451.0,488.0和520.5 nm的5个550.0 nm可见光的可见激发谱峰,和位于379.0,406.5,451.0,488.5,520.5,544.0,651.5和798.0 nm的8个1531.0 nm红外光的红外激发谱峰,容易指认出依次为Er 3+的4I 15/2→4G 11/2,4I 15/2→2H 9/2,4I 15/2→(4F 3/2,4F 5/2),4I 15/2→4F 7/2,4I 15/2→2H 11/2,4I 15/2→4S 3/2,4I 15/2→4F 9/2和4I 15/2→4I 9/2跃迁的吸收峰,通过测量发现(A)Er 3+(0.5%)Ag(0.5%):铋化物发光玻璃相对于(B)Er 3+(0.5%):铋化物发光玻璃样品的可见和红外激发谱的最大增强依次分别是238%和133%。最后,测量了它们的发光谱,发现有位于534.0,547.5和658.5 nm的三组可见发光峰,容易指认出依次为Er 3+的2H 11/2→4I 15/2,4S 3/2→4I 15/2,4F 9/2→4I 15/2荧光跃迁。还发现红外发光峰位于978.0和1531.0 nm,依次为Er 3+的4I 11/2→4I 15/2和4I 13/2→4I 15/2的荧光跃迁。通过测量发现(A)Er 3+(0.5%)Ag(0.5%):铋化物发光玻璃相对于(B)Er 3+(0.5%):铋化物发光玻璃样品的可见和红外发光谱的最大增强依次分别是215%和138%。对于银表面等离激元增强铒离子发光的机理,认为主要为纳米银颗粒的局域表面等离激元共振,造成金属纳米结构附近产生的局域电场的强度要远大于入射光的电场强度,从而导致了金属纳米结构对入射光产生强烈的吸收和散射,进而导致了荧光的增强;即局域表面等离子体共振局域场的场增强效应。     

双惯导联合旋转调制光纤陀螺标度因数误差自校正方法

旋转调制光纤陀螺航海惯导系统中,光纤陀螺标度因数误差会与地球自转角速度耦合产生等效的天向和北向陀螺漂移误差,也会与船体摇摆角速度以及惯性测量单元旋转调制角速度耦合产生短时动态误差,限制了长航时航海惯性导航精度。通过使用两套三轴旋转调制光纤陀螺航海惯导系统进行联合旋转调制,提出一种光纤陀螺标度因数误差在线估计与自校正方法。根据两套三轴旋转调制光纤陀螺航海惯导系统的水平旋转轴空间夹角关系建立观测方程,实现在线估计滤波。半实物仿真结果表明,自主导航过程中光纤陀螺标度因数误差在线估计精度优于1 ppm,利用输出校正方式在线补偿光纤陀螺标度因数误差导致的惯导定位误差,有效抑制了两套三轴旋转调制光纤陀螺航海惯导系统定位误差的增长。实际转台模拟实验中,两套三轴旋转调制光纤陀螺惯导系统300 h纯惯性导航整体定位最大误差分别减小25%和40%。算法采用地心地固坐标系,因此也适用于极区导航情况。     

The structure and the potential energy function of AlSO(C_S,X~2A″)

By using the B3P86/aug-cc-pvtz method,the accurate equilibrium geometry of the AlSO(CS,X2A″) molecule has been calculated and compared with available theoretical values.The obtained results show that the AlSO molecule has a most stable structure with bond lengths of R OAl = 0.1864 nm,R OS = 0.1623 nm,R AlS = 0.2450 nm,together with a dissociation energy of 13.88 eV.The possible electronic states and their reasonable dissociation limits for the ground state of the AlSO molecule were determined based on the principle of atomic and molecular reaction statics.The analytic potential energy function of the AlSO molecule was derived by the many-body expansion theory and the contour lines were constructed for the first time,which show the internal information of the AlSO molecule,including the equilibrium structure and stable point.The analysis demonstrates that the obtained potential energy function of AlSO is reasonable and successful and the present investigations provide important insights for further study on molecular reaction dynamics.     

Be-composition effect on structure, electronic and optical properties of BexZn1-xO alloys

This paper carries out first principles calculation of the structure,electronic and optical properties of Be x Zn 1 x O alloys based on the density-functional theory for the compositions x = 0.0,0.25,0.5,0.75,1.0.The lattice constants deviations of alloys obey Vegard’s law well.The Be x Zn 1 x O alloys have the direct band gap(Γ-Γ) character,and the bowing coefficients are less than the available theoretical values.Moreover,it investigates in detail the optical properties(dielectric functions,absorption spectrum and refractive index) of these ternary mixed crystals.The obtained results agree well with the available theoretical and experimental values.     

Growth of gem-grade nitrogen-doped diamond crystals heavily doped with the addition of Ba（N3）2

Additive Ba(N 3) 2 as a source of nitrogen is heavily doped into the graphite-Fe-based alloy system to grow nitrogendoped diamond crystals under a relatively high pressure (about 6.0 GPa) by employing the temperature gradient method.Gem-grade diamond crystal with a size of around 5 mm and a nitrogen concentration of about 1173 ppm is successfully synthesised for the first time under high pressure and high temperature in a China-type cubic anvil highpressure apparatus.The growth habit of diamond crystal under the environment with high degree of nitrogen doping is investigated.It is found that the morphologies of heavily nitrogen-doped diamond crystals are all of octahedral shape dominated by {111} facets.The effects of temperature and duration on nitrogen concentration and form are explored by infrared absorption spectra.The results indicate that nitrogen impurity is present in diamond predominantly in the dispersed form accompanied by aggregated form,and the aggregated nitrogen concentration in diamond increases with temperature and duration.In addition,it is indicated that nitrogen donors are more easily incorporated into growing crystals at higher temperature.Strains in nitrogen-doped diamond crystal are characterized by micro-Raman spectroscopy.Measurement results demonstrate that the undoped diamond crystals exhibit the compressive stress,whereas diamond crystals heavily doped with the addition of Ba(N 3) 2 display the tensile stress.     

He-H2(D2,T2)碰撞体系振转相互作用势及分波截面的理论计算

采用超分子单双迭代(包括非迭代三重激发)耦合簇理论CCSD(T)方法,选择由原子中心高斯函数和高斯键函数3s3p2d1f组成的大基组,计算了He-H₂(D₂,T₂)碰撞体系的H₂分子取不同键长时的相互作用势能面.运用Tang-Toennies势模型和非线性最小二乘法拟合构造了He与同位素分子H₂(D₂,T₂)在质心坐标系下的振转相互作用势.通过密耦计算得 关键词： 高斯键函数 Tang-Toennies势函数 分波截面 碰撞参数     

不同能量下He原子与HCl分子碰撞激发分波截面的同位素效应研究

基于Huxley势函数的拟合势,通过精确度较高的密耦近似方法计算了入射能量为50meV和150meV时,氦原子的四种同位素3He,4He,9He,10He与HCl分子碰撞体系的激发分波截面.通过分析不同能量下,各碰撞体系分波截面的差异,探讨了不同入射能量时He的同位素对He-HCl碰撞体系的分波截面的影响,总结出其分波截面随量子数和体系约化质量的变化规律.