First-principles study of the electronic structures and absorption spectra for the PbMoO4 crystal with lead vacancy
文献类型：期刊论文
| 作者 | Chen Jianyu ; Liu Tingyu ; Cao Dunhua ; Zhao GJ(赵广军) |
| 刊名 | phys. status solidi b
 |
| 出版日期 | 2008 |
| 卷号 | 245期号:6页码:1152 |
| 关键词 | SINGLE-CRYSTALS MOLYBDATE CRYSTALS COLOR-CENTERS GROWTH PBWO4 IMPERFECTIONS LUMINESCENCE ORIGIN |
| ISSN号 | 0370-1972 |
| 中文摘要 | the electronic structures and absorption spectra for the perfect pbmoo4 crystal and the crystal containing lead vacancy v-pb(2-) with lattice structure optimized are calculated using density functional theory code castep. the calculated absorption spectra of the pbmoo4 crystal containing v-pb(2-) exhibit three absorption bands peaking at 2.0 ev (620 nm), 3.0 ev (413 run) and 3.3 ev (375 nm), which are in good agreement with experimental values. the theory predicts that the 390 nm, 430 nm and 580 run absorption bands are related to the existence of v-pb(2-) in the pbmoo4 crystal. |
| 语种 | 英语 |
| WOS记录号 | WOS:000256787000024 |
| 公开日期 | 2009-09-24 |
| 源URL | [http://ir.siom.ac.cn/handle/181231/6177]  |
| 专题 | 上海光学精密机械研究所_激光与光电子功能材料研发中心 |
| 推荐引用方式 GB/T 7714 | Chen Jianyu,Liu Tingyu,Cao Dunhua,et al. First-principles study of the electronic structures and absorption spectra for the PbMoO4 crystal with lead vacancy[J]. phys. status solidi b,2008,245(6):1152, 1155. |
| APA | Chen Jianyu,Liu Tingyu,Cao Dunhua,&赵广军.(2008).First-principles study of the electronic structures and absorption spectra for the PbMoO4 crystal with lead vacancy.phys. status solidi b,245(6),1152. |
| MLA | Chen Jianyu,et al."First-principles study of the electronic structures and absorption spectra for the PbMoO4 crystal with lead vacancy".phys. status solidi b 245.6(2008):1152. |
入库方式： OAI收割
来源：上海光学精密机械研究所
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