吸收限附近非对称反射条件下X射线的异常透射

研究了原子吸收限附近非对称布拉格条件下完整平板晶体的X射线异常透射．当衍射主要由原子散射因子的虚部引起时，在严格的布拉格角处，晶体内部驻波的波节位于衍射原子面上，从而导致异常透射的发生．透射波主要来源于晶体内部坡印廷矢量指向晶体下表面（入射面为上表面）的波场．该波场的有效吸收系数随非对称因子a的增大而减小，所以整个晶体的透射系数随a的增大而增大．当原子散射因子的实虚部对衍射的贡献之比一定时，晶体内坡印廷矢量偏离色散面实部法向的程度随反射的非对称程度的增大而增大． 关键词：     

Electronic structures of halogen-doped Cu2O based on DFT calculations

In order to construct p–n homojunction of Cu2O-based thin film solar cells that may increase its conversion efficiency, to synthesize n-type Cu2O with high conductivity is extremely crucial, and considered as a challenge in the near future. The doping effects of halogen on electronic structure of Cu2O have been investigated by density function theory calculations in the present work. Halogen dopants form donor levels below the bottom of conduction band through gaining or losing electrons, suggesting that halogen doping could make Cu2O have n-type conductivity. The lattice distortion, the impurity formation energy, the position, and the band width of donor level of Cu2O1 xHx(H = F, Cl, Br, I) increase with the halogen atomic number. Based on the calculated results, chlorine doping is an effective n-type dopant for Cu2O, owing to the lower impurity formation energy and suitable donor level.