| Origin of the 330 nm absorption band and effect of doping yb in liyf4 crystals | |
| Yin, Jigang1,2; Hang, Yin1; Zhang, Lianhan1; Zhao, Chengchun1,2; Xiong, Jing1,2; Hu, Pengchao1,2 | |
| 刊名 | Journal of luminescence
 |
| 2010-08-01 | |
| 卷号 | 130期号:8页码:1338-1342 |
| 关键词 | Liyf4 crystal Abinit F and v-f color centers Doping Absorption bands |
| ISSN号 | 0022-2313 |
| DOI | 10.1016/j.jlumin.2010.02.011 |
| 通讯作者 | Hang, yin(yhang@siom.cn.com) |
| 英文摘要 | The electronic structures of liyf4 (ylf) crystals containing f color center (ylf-f) and yb doped ylf crystals (yb3+:ylf, yb2+:ylf) are systematically studied within the framework of the density functional theory. the calculated results indicate that the 330 nm absorption band originates from the f center in ylf crystals. thus the doping of yb3+ can weaken the 330 nm absorption band by competing with f vacancies in capturing free electrons arising after gamma-irradiation and change to yb-2. by analyzing the lattice relaxation and the electronic structure of ylf containing yb2+, we can reasonably believe that once yb2+ is formed in ylf crystal, its compensating hole will turn out to be shared by two f- nearest to yb2+ forming a diatomic fluoride molecular ion (f-2(-)) perturbed by yb-2(+), or to say v-f color center. according to the molecular-orbital linear combination of atomic orbital (mo-lcaos) theory, compared to the alkali halides, e.g. lif, the f-2(-) in v-f center in liyf4 peaks at about 340 nm, which is in agreement with the experimental results. (c) 2010 published by elsevier b.v. |
| WOS关键词 | PARAMAGNETIC RESONANCE ; TEMPERATURE ; FLUORIDE |
| WOS研究方向 | Optics |
| WOS类目 | Optics |
| 语种 | 英语 |
| 出版者 | ELSEVIER SCIENCE BV |
| WOS记录号 | WOS:000279139300003 |
| 内容类型 | 期刊论文 |
| URI标识 | http://www.corc.org.cn/handle/1471x/2405429 |
| 专题 | 中国科学院大学 |
| 通讯作者 | Hang, Yin |
| 作者单位 | 1.Chinese Acad Sci, Shanghai Inst Opt & Fine Mech, Key Lab High Power Laser Mat, Shanghai 201800, Peoples R China 2.Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yin, Jigang,Hang, Yin,Zhang, Lianhan,et al. Origin of the 330 nm absorption band and effect of doping yb in liyf4 crystals[J]. Journal of luminescence,2010,130(8):1338-1342. |
| APA | Yin, Jigang,Hang, Yin,Zhang, Lianhan,Zhao, Chengchun,Xiong, Jing,&Hu, Pengchao.(2010).Origin of the 330 nm absorption band and effect of doping yb in liyf4 crystals.Journal of luminescence,130(8),1338-1342. |
| MLA | Yin, Jigang,et al."Origin of the 330 nm absorption band and effect of doping yb in liyf4 crystals".Journal of luminescence 130.8(2010):1338-1342. |
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