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First-Principle Calculations and Experimental Investigation of Structure, Defect, and Spectra Properties of Yb3+-doped NaGd(1-x)La(x)(MoO4)2 Composite Laser Crystals

文献类型：期刊论文

作者Zhang, Chuancheng2; Ding, Shoujun1,2; Su, Wenzhi2; Wang, Miaomiao2; Hu, Haitang2; Zou, Yong2; Liu, Wenpeng3; Zhang, Qingli3
刊名CRYSTAL GROWTH & DESIGN
出版日期2024-08-14
ISSN号1528-7483
DOI10.1021/acs.cgd.4c00732
通讯作者Ding, Shoujun(sjding@ahut.edu.cn)
英文摘要Inhomogeneous broadening in disordered crystals has been widely recognized as a successful approach to enhance the spectral bandwidth of rare earth ions in optical spectra, and the Yb3+-doped mixed laser crystals are known as ultrafast pulse materials and have emerged as a hotspot recently. In this study, mixed sodium gadolinium/lanthanum double molybdate disordered laser crystals NaGd(1-x)La(x)(MoO4)(2) with x = 0.3, 0.5, and 0.9 were grown by the Czochralski (Cz) method. The structure of as-grown crystals was investigated by XRD, SEM, FT-IR, and Raman experiments. The spectroscopic properties, including absorption, emission, and fluorescence decay characteristics, were investigated thoroughly. The NaGd0.5La0.5(MoO4)(2) (NGLM) composite crystal exhibited an exceptionally broad absorption which reaches 70 nm (fwhm) at 980 nm, exceeding those of NaGd(MoO4)(2) (NGM) and NaLa(MoO4)(2) (NLM). Additionally, the electronic structures (band structure and density of states) of NGM, NGLM, and NLM were determined from the first-principles method combined with the PBE function. The calculations of defect formation energies under O-poor and O-rich conditions demonstrate that the +2 defects are easily generated in the undoped NGM crystal prepared under reducing atmospheres, and the calculation of absorption properties reveals that the black color of NGM without annealing is mainly attributed to intraband transitions between defect induction states and VBM or CBM. Moreover, the lifetimes of excited energy level F-2(5/2) of Yb3+ were examined under different experimental environments to obtain the intrinsic radiative lifetime, and the emission cross section was calculated as 2.25 x 10(-20) cm(2) at 1016 nm. The features of the Yb3+:NaGd(1-x)La(x)(MoO4)(2) crystal indicate the potential applications for ultrafast and broad tunable laser through slight regulation of the composite engineering strategy.
WOS关键词CONTINUOUS-WAVE ; SPECTROSCOPIC PROPERTIES ; HYDROTHERMAL SYNTHESIS ; LUMINESCENT PROPERTIES ; SINGLE-CRYSTALS ; GROWTH ; OPERATION ; NAGD(MOO4)(2) ; REFINEMENT ; MOLYBDATES
资助项目National Natural Science Foundation of China[52202001] ; Major Science and Technology of Anhui Province[202203a05020002]
WOS研究方向Chemistry ; Crystallography ; Materials Science
语种英语
WOS记录号WOS:001291839900001
出版者AMER CHEMICAL SOC
资助机构National Natural Science Foundation of China ; Major Science and Technology of Anhui Province
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/135994]  
专题中国科学院合肥物质科学研究院
通讯作者Ding, Shoujun
作者单位1.Anhui Prov Joint Key Lab Disciplines Ind Big Data, Maanshan 243002, Anhui, Peoples R China
2.Anhui Univ Technol, Sch Microelect & Data Sci, Maanshan 243002, Anhui, Peoples R China
3.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Hefei 230031, Anhui, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Chuancheng,Ding, Shoujun,Su, Wenzhi,et al. First-Principle Calculations and Experimental Investigation of Structure, Defect, and Spectra Properties of Yb3+-doped NaGd(1-x)La(x)(MoO4)2 Composite Laser Crystals[J]. CRYSTAL GROWTH & DESIGN,2024.
APA Zhang, Chuancheng.,Ding, Shoujun.,Su, Wenzhi.,Wang, Miaomiao.,Hu, Haitang.,...&Zhang, Qingli.(2024).First-Principle Calculations and Experimental Investigation of Structure, Defect, and Spectra Properties of Yb3+-doped NaGd(1-x)La(x)(MoO4)2 Composite Laser Crystals.CRYSTAL GROWTH & DESIGN.
MLA Zhang, Chuancheng,et al."First-Principle Calculations and Experimental Investigation of Structure, Defect, and Spectra Properties of Yb3+-doped NaGd(1-x)La(x)(MoO4)2 Composite Laser Crystals".CRYSTAL GROWTH & DESIGN (2024).

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来源：合肥物质科学研究院

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