| Doppler程序对C、N掺杂金红石型TiO_2的理论研究 |
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| 引用本文： | 李瑞琴,李东翔,喻琴,覃信茂,闫万珺.Doppler程序对C、N掺杂金红石型TiO_2的理论研究[J].原子与分子物理学报,2018,35(1):127-131. |
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| 作者姓名： | 李瑞琴 李东翔 喻琴 覃信茂 闫万珺 |
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| 作者单位： | 安顺学院, |
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| 摘 要： | 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TiO_2体系的正电子湮没寿命,并且从理论上给出TiO_2体系不同缺陷处的符合多普勒展宽能谱.
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| 关 键 词： | Doppler程序 湮没寿命 符合多普勒展宽能谱 |
| 收稿时间： | 2017/4/8 0:00:00 |
| 修稿时间： | 2017/5/7 0:00:00 |
The theory study on rutile TiO2 doped with C and N by Doppler program |
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| Li Rui-Qin,Li Dong-Xiang,Yu Qin,Qin Xin-Miao and Yan Wan-Jun.The theory study on rutile TiO2 doped with C and N by Doppler program[J].Journal of Atomic and Molecular Physics,2018,35(1):127-131. |
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| Authors: | Li Rui-Qin Li Dong-Xiang Yu Qin Qin Xin-Miao and Yan Wan-Jun |
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| Institution: | anshun university, |
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| Abstract: | 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. |
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| Keywords: | Doppler program Annihilation lifetime Coincident Doppler broadening spectra |
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