Theoretical and experimental studies of electronic, optical and luminescent properties for Tb-based garnet materials | |
Ding, Shoujun1,2,3; Zhang, Haotian1,3; Dou, Renqin1; Liu, Wenpeng1; Sun, Dunlu1; Zhang, Qingli1 | |
刊名 | JOURNAL OF SOLID STATE CHEMISTRY |
2018-07-01 | |
卷号 | 263期号:无页码:123-130 |
关键词 | TSAG and TAG Density functional theory Phosphor Visible laser matrix Optical properties Judd-Ofelt theory |
ISSN号 | 0022-4596 |
DOI | 10.1016/j.jssc.2018.04.028 |
英文摘要 | Terbium-aluminum (Tb(3)A(l5)O(12): TAG) as well as Terbium-scandium-aluminum (Tb3Sc2Al3O12: TSAG) garnet materials have attracted tremendous attention around the world owing to their multifunctional applications. However, the electronic structure, optical and luminescent properties for TAG and TSAG are still requiring elucidation. To solve these intriguing problems, firstly, a systematic theoretical calculation based on the density functional theory methods were carried out on them and their electronic structure and optical properties were obtained. The calculated results indicating that both TAG and TSAG belongs to direct band gap materials category with band gap of 4.46 and 4.05 eV, respectively. Secondly, we compared the calculated results with the experimental results (including band gap, refractive index and reflectivity) and found that they were in good coincident. Lastly, we investigated the luminescence properties of TSAG and evaluated its probability for using as visible phosphor and laser matrix. In addition, a Judd-Ofelt theory calculation was performed on TSAG to reveal the radioactive transition of Tb-4f configuration and the three Judd-Ofelt intense parameters were obtained to be 4.47,1.37 and 4.23 x 10(-20) cm(2), respectively. All of the obtained results can provide an essential understanding of TAG and TSAG garnet materials and also useful for the further exploration of them. |
资助项目 | National Natural Science Foundation of China[61405206] ; National Natural Science Foundation of China[51502292] ; National Key Research and Development Program of China[2016YFB0402101] ; China Scholarship Council[201706340135] |
WOS关键词 | SINGLE-CRYSTALLINE FILMS ; CE-DOPED TB3AL5O12 ; RARE-EARTH IONS ; SCINTILLATION PROPERTIES ; TRANSPARENT CERAMICS ; FARADAY ISOLATORS ; ENERGY-TRANSFER ; TSAG CRYSTAL ; POWER LASERS ; WHITE LEDS |
WOS研究方向 | Chemistry |
语种 | 英语 |
出版者 | ACADEMIC PRESS INC ELSEVIER SCIENCE |
WOS记录号 | WOS:000433525000018 |
内容类型 | 期刊论文 |
源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/36601] |
专题 | 合肥物质科学研究院_中科院安徽光学精密机械研究所 |
通讯作者 | Ding, Shoujun; Zhang, Qingli |
作者单位 | 1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Hefei 230031, Anhui, Peoples R China 2.Utah State Univ, Chem & Biochem, Logan, UT 84322 USA 3.Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China |
推荐引用方式 GB/T 7714 | Ding, Shoujun,Zhang, Haotian,Dou, Renqin,et al. Theoretical and experimental studies of electronic, optical and luminescent properties for Tb-based garnet materials[J]. JOURNAL OF SOLID STATE CHEMISTRY,2018,263(无):123-130. |
APA | Ding, Shoujun,Zhang, Haotian,Dou, Renqin,Liu, Wenpeng,Sun, Dunlu,&Zhang, Qingli.(2018).Theoretical and experimental studies of electronic, optical and luminescent properties for Tb-based garnet materials.JOURNAL OF SOLID STATE CHEMISTRY,263(无),123-130. |
MLA | Ding, Shoujun,et al."Theoretical and experimental studies of electronic, optical and luminescent properties for Tb-based garnet materials".JOURNAL OF SOLID STATE CHEMISTRY 263.无(2018):123-130. |
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