Density functional theory calculations of structural, electronic and optical properties of LaPO4:Eu
文献类型：期刊论文
| 作者 | Wang, Xiaoyan1; Wang, Xin2; Liu, Wei2 ; Liu, Chaohong3; Zhang, Zhongju1
|
| 刊名 | OPTICAL MATERIALS
 |
| 出版日期 | 2014-07-01 |
| 卷号 | 36期号:9页码:1506-1510 |
| 关键词 | CASTEP Eu doped LaPO4 Luminescence Optical transition |
| 通讯作者 | Wang, X (reprint author), Ocean Univ China, Inst Mat Sci & Engn, 238 Songling Rd, Qingdao 266100, Peoples R China. |
| 英文摘要 | Monoclinic LaPO4 and LaPO4:Eu have been prepared by the hydrothermal method. The phase composition, UV-Vis absorption spectrum, excitation and emission spectra of as-obtained products were measured. Theoretical calculations of the structural, electronic and optical properties of LaPO4 and LaPO4:Eu were also carried out. The results indicated that the lattice parameters, energy gap and optical properties were in good agreement with the experimental results. The impurity energy levels induced by the 4f states of Eu expanded the absorption edge and decreased the band gap. The charge transfer energy of O(2p)-Eu(4f) calculated was about 4.41 eV, which was close to the value achieved in excitation spectrum (4.5 eV). (C) 2014 Elsevier B.V. All rights reserved. |
| 学科主题 | Materials Science; Optics |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000337873000008 |
| 源URL | [http://ir.qdio.ac.cn/handle/337002/23999]  |
| 专题 | 海洋研究所_海洋生态与环境科学重点实验室 海洋研究所_实验海洋生物学重点实验室 |
| 作者单位 | 1.Ocean Univ China, Coll Chem & Chem Engn, Qingdao 266100, Peoples R China 2.Ocean Univ China, Inst Mat Sci & Engn, Qingdao 266100, Peoples R China 3.Chinese Acad Sci, Inst Oceanol, Qingdao 266071, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Xiaoyan,Wang, Xin,Liu, Wei,et al. Density functional theory calculations of structural, electronic and optical properties of LaPO4:Eu[J]. OPTICAL MATERIALS,2014,36(9):1506-1510. |
| APA | Wang, Xiaoyan,Wang, Xin,Liu, Wei,Liu, Chaohong,&Zhang, Zhongju.(2014).Density functional theory calculations of structural, electronic and optical properties of LaPO4:Eu.OPTICAL MATERIALS,36(9),1506-1510. |
| MLA | Wang, Xiaoyan,et al."Density functional theory calculations of structural, electronic and optical properties of LaPO4:Eu".OPTICAL MATERIALS 36.9(2014):1506-1510. |
入库方式： OAI收割
来源：海洋研究所
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