3d过渡金属掺杂M_2@Si_(20)(M=Sc-Zn)团簇的密度泛函理论研究

利用密度泛函理论(DFT)研究3d过渡金属掺杂硅团簇的几何结构和稳定性,计算了绝热电子亲和能和垂直电离能,内嵌双金属间距,自旋磁矩等.结果表明内嵌的Sc、Ti、V、Mn金属二聚体和十二面体硅笼构成了稳定的富勒烯结构,随着d电子数目的增加其内嵌的富勒烯构型有部分畸变,总体而言Si_(20)团簇掺杂双金属后稳定性得到了提高.     

La掺杂和空位对ZnS磁性和光学性能影响的第一性原理研究

利用密度泛函理论框架下的平面波超软赝势法,通过第一性原理对La掺杂与Zn空位(V_(Zn))及La掺杂与S空位(V_S)共存的ZnS体系的电子结构、磁性机理、形成能及吸收光谱进行了研究.结果表明, La掺杂与空位(V_(Zn)或V_S)的空间位置最近时,掺杂体系的形成能最低,体系最稳定.另外,La掺杂与Zn空位共存时,体系具有磁性,且体系的净磁矩与La原子与Zn空位的相对位置有关;La掺杂与S空位共存时,掺杂体系无磁性,但此时体系的禁带宽度最窄且吸收光谱红移最显著.     

Variational methods for the problems of nonconservative force fields in the micropolar elastodynamics

Based on the properties of the convolution and the convolute commutation, some quasi-variational principles for the problems of nonconservative force field in the micropolar elastodynamics are given and verified in this paper. The theorem given in this paper can be applied to the theories of the nonlocal elastic mediums and the nonlocal micropolar elastic mediums.     

Ge-Sb-Se硫系薄膜制备及光学特性研究

介绍了几种常见的硫系薄膜制备方法, 根据现有实验条件采用热蒸发法和磁控溅射法制备出Ge-Sb-Se三元体系硫系薄膜, 通过台阶仪测试薄膜的厚度和表面粗糙度, 计算出两种制备方法的成膜速率, 并通过X射线光电子能谱测试了两种制备方法所得薄膜与块体靶材组分的差别. 利用Z扫描技术和分光光度计测试了热蒸发法制备所得薄膜的三阶非线性性能和透过光谱, 计算出非线性折射率、非线性吸收系数和薄膜厚度等参数. 结果表明热蒸发法制备Ge-Sb-Se薄膜具有良好的物理结构和光学特性, 在集成光学器件方面很高的应用潜力.     

Effect of microstructure on thermoelectric properties of CSD-grown Bi2Sr2Co2Oy thin films

Three Bi₂Sr₂Co₂O_y thin films with different microstructures have been prepared by chemical solution deposition on LaAlO₃(001) through varying the annealing temperature. With the decrease in the annealing temperature, both the size and c-axis alignment degree of grains in the film decrease as well, leading to an increase in the film resistivity. In addition, the decrease in the annealing temperature also results in a slight increase in the seebeck coefficient due to the enhanced energy filtering effect of small-grain film. The nanostructured Bi₂Sr₂Co₂O_y film with the average grain size of about 100 nm shows a power factor comparable to that of the films with larger grains. Since the thermal conductivity of the nanostrcutured films can be depressed due to the enhanced phonon scattering by grain boundary, a higher figure of merit is expected in Bi₂Sr₂Co₂O_y thin film with grains in nanometer size.     

Energy theorems for solving equations of deflections

In this paper the unit-dummy-load method is generalized on the basis of Castigliano’s Theorem. On these grounds the general eguations of deflection surfaces of the structures, such as a kind of beams,plates and shells, are directly derived by the force method.We derived the eguations of the deflection surfaces of the rectangular thin plates and thick plates considering the effect of transverse shearing deformations with the inhomogeneous displacement boundary conditions. At the same time we give the equations of deflection axes of the corresponding straight beams.The applications of the reciprocal theorem are also generalized.Three simple calculated examples are given.     

Photoemission of graded-doping GaN photocathode

We study the photoemission process of graded-doping GaN photocathode and find that the built-in electric fields can increase the escape probability and the effective diffusion length of photo-generated electrons,which results in the enhancement of quantum efficiency.The intervalley scattering mechanism and the lattice scattering mechanism in high electric fields are also investigated.To prevent negative differential mobility from appearing,the surface doping concentration needs to be optimized,and it is calculated to be 3.19×10 17 cm 3.The graded-doping GaN photocathode with higher performance can be realized by further optimizing the doping profile.     

Mn替代对Dy2AlFe16-xMnx化合物的结构和磁性的影响

通过X射线衍射及磁测量手段研究了Dy2AlFe16-xMnx化合物的结构和磁性.研究结果表明Dy2AlFe16-xMnx化合物具有六角相的Th2Ni17型结构.对x=1,2的样品采用X射线热膨胀测定法在104-647K的温度范围内测量了其热膨胀性质,发现这些化合物在低温下存在热膨胀反常现象,在居里点附近出现负膨胀性质.对自发磁致伸缩的研究结果表明Dy2AlFe16-xMnx化合物中存在着较强的各向异性的自发磁致伸缩,随着Mn含量的增加,其低温下的自发体磁致伸缩减弱.磁测量结果表明Mn的替代导致Dy2AlFe16-xMnx化合物的居里温度及自发磁化强度急剧下降.     

真空紫外光激发下掺Pr3+铝酸盐的自陷激子对Pr3+发光的影响

研究了SrAl12 O19:Pr3+和Y3Al5O12(YAG):Pr3+在20K,77K和300K的真空紫外(VUV)光谱,二者除了表现出Pr3+特有的发射性质外,还产生了一种特殊的发射现象,即自陷激子(STE)发射,并且其随着稀土离子浓度和温度的降低而增强.还着重讨论了自陷激子对Pr3+发光的影响.     

Double-clad photonic crystal fiber coupler for compact nonlinear optical microscopy imaging

A 1 x 2 double-clad photonic crystal fiber coupler is fabricated by the fused tapered method, showing a low excess loss of 1.1 dB and a splitting ratio of 97/3 over the entire visible and near-infrared wavelength range. In addition to the property of splitting the laser power, the double-clad feature of the coupler facilitates the separation of a near-infrared single-mode beam from a visible multimode beam, which is ideal for nonlinear optical microscopy imaging. In conjunction with a gradient-index lens, this coupler is used to construct a miniaturized microscope based on two-photon fluorescence and second-harmonic generation. Three-dimensional nonlinear optical images demonstrate potential applications of the coupler to compact all-fiber and nonlinear optical microscopy and endoscopy.