| Electronic Structures of PbWO4 Crystals Containing F-Type Colour Centres |
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| 作者姓名： | 易志军 刘廷禹 张启仁 孙媛媛 |
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| 作者单位： | [1]College of Science, University of Shanghai for Science and Technology, Shanghai 200093 |
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| 基金项目： | Supported by the Scientific Development Foundation of Shanghai Municipal Education Committee under Grant No 04EB09. |
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| 摘 要： | Electronic structures of PbWO4 crystals containing F-type colour centres with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Dirac-Slater theory, using a numerically discrete variational （DV-Xα） method. The calculated results show that F and F^＋ centres have donor energy levels in the forbidden bands. Their optical transition energies are 1.84 eV and 2.21 eV, respectively, which correspond to the 680nm and 550 nm absorption bands. It is predicted that the 680 nm and 550nm absorption banas originate from the F and F^＋ centres in PbWO4 crystals.
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| 关 键 词： | PbWO4 电子结构 晶体 格子结构 离散变化 光学传播 |
| 收稿时间： | 2005-04-22 |
| 修稿时间： | 2005-04-22 |
Electronic Structures of PbWO4 Crystals Containing F-Type Colour Centres |
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| Yi ZhiJun;Liu TingYu;Zhang QiRen;Sun YuanYuan.Electronic Structures of PbWO4 Crystals Containing F-Type Colour Centres[J].Chinese Physics Letters,2005,22(10):2618-2621. |
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| Authors: | Yi ZhiJun;Liu TingYu;Zhang QiRen;Sun YuanYuan |
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