| Doppler程序对金红石型TiO2的空位缺陷研究 |
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| 引用本文： | 李瑞琴,李东翔.Doppler程序对金红石型TiO2的空位缺陷研究[J].原子与分子物理学报,2015,32(5). |
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| 作者姓名： | 李瑞琴 李东翔 |
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| 作者单位： | 安顺学院,安顺学院 |
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| 摘 要： | 金红石型TiO2是一种非常好的稀磁半导体材料，其自身的本征缺陷与室温铁磁性起源密切相关。本文利用Doppler程序在广义梯度理论（GGA）的基础上，计算了正电子在金红石型TiO2块材中不同缺陷处的湮没寿命。主要包括自由态正电子的湮没寿命，单空位和双空位处束缚态正电子的湮没寿命。并从理论上给出了含有空位缺陷时金红石型TiO2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 |
Study of rutile TiO2 vacancy defects by Doppler program |
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| Institution: | anshun university,anshun university |
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| Abstract: | Rutile TiO2 is a good dilute magnetic semiconductor material. Its magnetism is closely related to the intrinsic defects. In this paper, Doppler program based on the generalized gradient theory (GGA) is used to calculate the positron annihilation lifetimes of different defects, including the annihilation lifetimes of freedom electron states and annihilation lifetimes of different types of vacancies (single slot and double slot), in bulk rutile TiO2. Furthermore, Doppler broadening spectra of rutile TiO2 containing vacancy defects are given theoretically. |
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| Keywords: | Doppler program Annihilation lifetime Coincident Doppler broadening spectra |
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