| TATB近太赫兹波段的吸收特性及其密度泛函理论计算 |
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| 引用本文： | 贾传强,宋涛,刘晓亚,张振伟,蒋刚.TATB近太赫兹波段的吸收特性及其密度泛函理论计算[J].含能材料,2013,21(4):434-438. |
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| 作者姓名： | 贾传强 宋涛 刘晓亚 张振伟 蒋刚 |
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| 作者单位： | 四川大学原子与分子物理研究所, 四川 成都 610065;中国工程物理研究院核物理与化学研究所, 四川 绵阳 621900;中国工程物理研究院核物理与化学研究所, 四川 绵阳 621900;首都师范大学物理系,北京太赫兹波谱与成像重点实验室, 北京 100048;四川大学原子与分子物理研究所, 四川 成都 610065 |
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| 摘 要： | 利用太赫兹时域光谱技术对三氨基三硝基苯(TATB)在0.2～2.5 THz频谱范围内的吸收光谱峰值进行了测量。采用密度泛函理论模拟计算了TATB的太赫兹频率特征吸收峰,结果表明,实测值TATB吸收光谱峰值位于1.65,2.22 THz处,计算值分别位于1.2,1.65 THz处。理论结果与实验结果对比发现,TATB在此波段有明显的特征吸收峰,并且理论与实验在某些特征吸收峰一致性好。
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| 关 键 词： | 材料科学 三氨基三硝基苯(TATB) 太赫兹光谱技术 密度泛函 吸收光谱 |
| 收稿时间： | 2/9/2012 12:00:00 AM |
| 修稿时间： | 2012/11/21 0:00:00 |
Absorption Characteristics and Simulation of TATB Near Terahertz |
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| JIA Chuan-qiang,SONG Tao,LIU Xiao-y,ZHANG Zhen-wei and JIANG Gang.Absorption Characteristics and Simulation of TATB Near Terahertz[J].Chinese Journal of Energetic Materials,2013,21(4):434-438. |
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| Authors: | JIA Chuan-qiang SONG Tao LIU Xiao-y ZHANG Zhen-wei and JIANG Gang |
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| Affiliation: | Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;Institute of Nuclear Physic and Chemistry, CAEP, Mianyang 621900, China;Institute of Nuclear Physic and Chemistry, CAEP, Mianyang 621900, China;Beijing Key Laboratory for Terahertz Spectroscopy and Imaging, Department of Physics, Capital Normal University, Beijing 100048, China;Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China |
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| Abstract: | The absorption spectra of TATB, in the frequency range of 0.2-2.5 THz, were measured by terahertz time-domain spectroscop, and the experimental results show that the characteristic peaks of TATB are located in 1.65 THz and 2.22 THz. The theoretical simulation by density functional theory(DFT) shows that the characteristic peaks of TATB are located in 1.2 THz and 1.65 THz. The experimental results agree with the theoretical calculation results, which show that TATB has distinct characteristic absorption peaks in the frequency range of 0.2-2.5 THz. |
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| Keywords: | materials science 1 3 5-triamino-2 4 6-trinitrobenzene (TATB) terahertz spectroscopy density function theory absorption spectra |
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