%0 Journal Article
%T Doppler程序对C、N掺杂金红石型TiO2的理论研究<br>The theory study on rutile TiO2 doped with C and N by Doppler program
%A 李瑞琴
%A 李东翔
%A 喻琴
%A 覃信茂
%A 闫万？B
%J 原子与分子物理学报
%D 2018
%X 本文在密度泛函理论和广义梯度近似（GGA）的基础上, 应用Doppler程序计算了C掺杂、N掺杂、C-N共掺杂TiO2体系的正电子湮没寿命, 并且从理论上给出TiO2体系不同缺陷处的符合多普勒展宽能谱.<br>In this paper, Doppler program based on the density functional theory and the generalized gradient theory (GGA) is used to calculate the positron annihilation lifetimes of C doped and N doped and C-N Co doped TiO2 system. Furthermore, the Doppler broadening spectra of different defects in TiO2 system are given theoretically.
%K Doppler程序 湮没寿命 符合多普勒展宽能谱&lt
%K br&gt
%K Doppler program Annihilation lifetime Coincident Doppler broadening spectra
%U http://jamp.ijournals.cn/jamp/ch/reader/view_abstract.aspx?file_no=17064&flag=1