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: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
DOI10.1016/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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