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Electronic structure, optical dispersion and luminescence properties of terbium gallium garnet crystal

文献类型：期刊论文

作者Zhang, Haotian1,2,3,4; Gao, Yuxi1,2,3,4; Huang, Changbao1,2,4; Chen, Yingying1,2,3,4; Dou, Renqin1,2,4; Zhang, Qingli1,2,4
刊名CRYSTENGCOMM
出版日期2021-12-10
DOI10.1039/d1ce01030a
通讯作者Dou, Renqin(drq0564@aiofm.ac.cn) ; Zhang, Qingli(zql@aiofm.ac.cn)
英文摘要Terbium gallium garnet (Tb3Ga5O12, TGG) is widely investigated due to its multifunctional applications. However, the electronic structure, optical dispersion properties, bandgap and luminescence mechanisms of the TGG crystal are still not reported. In this study, density functional theory (DFT) calculations were performed to investigate the electronic structure of TGG. The TGG single crystal was grown by the Czochralski method, and its dispersive refractive index, transmission spectrum and photoluminescence spectrum were measured. The first-principles calculation indicates that some of the 4f(n) configuration component of Tb3+ was mixed into the conduction band, and some component of the 5d state was mixed into 4f state in the gap of TGG, which partially removed the parity forbidden rule, and resulted in the D-5(4) -> F-4(J) optical transition. The Wemple DiDomenico (WDD) model was employed to fit the measured refractive indices, which gave its dispersion energy and optical bandgap. The bandgap of TGG was determined as equal to 3.83 eV, 3.76 eV and 3.85 eV by the DFT model, WDD model and Tauc's plot, respectively.
WOS关键词FILM-FED GROWTH ; MAGNETOOPTICAL PROPERTIES ; THIN-FILMS ; 1ST-PRINCIPLES ; NANOPARTICLES ; INTENSITIES ; CERAMICS ; BEHAVIOR ; SPECTRA ; POWER
资助项目National Natural Science Foundation of China[51802307]
WOS研究方向Chemistry ; Crystallography
语种英语
出版者ROYAL SOC CHEMISTRY
WOS记录号WOS:000739584100001
资助机构National Natural Science Foundation of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/127235]  
专题中国科学院合肥物质科学研究院
通讯作者Dou, Renqin; Zhang, Qingli
作者单位1.Anhui Prov Key Lab Photon Devices & Mat, Hefei 230031, Peoples R China
2.Adv Laser Technol Lab Anhui Prov, Hefei 230037, Peoples R China
3.Univ Sci & Technol China, Hefei 230026, Peoples R China
4.Chinese Acad Sci, Crystal Lab Laser Technol Res Ctr, Anhui Inst Opt & Fine Mech, Hefei Inst Phys Sci, Hefei 230031, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Haotian,Gao, Yuxi,Huang, Changbao,et al. Electronic structure, optical dispersion and luminescence properties of terbium gallium garnet crystal[J]. CRYSTENGCOMM,2021.
APA Zhang, Haotian,Gao, Yuxi,Huang, Changbao,Chen, Yingying,Dou, Renqin,&Zhang, Qingli.(2021).Electronic structure, optical dispersion and luminescence properties of terbium gallium garnet crystal.CRYSTENGCOMM.
MLA Zhang, Haotian,et al."Electronic structure, optical dispersion and luminescence properties of terbium gallium garnet crystal".CRYSTENGCOMM (2021).

入库方式： OAI收割

来源：合肥物质科学研究院

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