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The structural origin of the 15 mu m residual absorption in the BaGa4Se7 crystal

文献类型：期刊论文

作者Jiang, Shengjie1,2; Wan, Songming1,2,3; Luo, Wen1; Li, Bin1,2; Yao, Jiyong4
刊名JOURNAL OF MATERIALS CHEMISTRY C
出版日期2021-11-30
ISSN号2050-7526
DOI10.1039/d1tc04717e
通讯作者Wan, Songming(smwan@aiofm.ac.cn)
英文摘要The BaGa4Se7 (BGSe) crystal is an excellent mid- and far-IR nonlinear optical crystal, but often shows an unexpected residual absorption peak around 15 mu m which substantially deteriorates the crystal performance. The structural origin of residual absorption is still under debate. In this work, Raman spectroscopy, factor group analysis and density functional theory computations were used to study the IR/Raman spectra of the perfect BGSe crystal and four defect BGSe crystals in order to clarify the structural origin of the residual absorption. The perfect BGSe crystal has 72 lattice phonons, including three acoustic phonons (2A ' + 1A ''), nine translational phonons (4A ' + 5A ''), six librational phonons (3A ' + 3A '') and 54 internal vibrational phonons (27A ' + 27A ''). Except for the three acoustic phonons, all the phonons are IR- and Raman-active. The maximum-frequency phonon of the perfect BGSe crystal (A ''), with a frequency of 295 cm(-1), is attributed to the stretching vibration of Ga-Se bonds. The two-phonon absorption of the 295 cm(-1) phonon corresponds to the crystal IR absorption edge, rather than the residual absorption peak. Density functional theory computations show that the residual absorption of the BGSe crystal originates from the O-Se defect (Se is substituted by O). The deforming vibrations of Ga-O-Ga bonds in the defect crystal produce two IR absorption bands located around 665 cm(-1), corresponding to the crystal residual absorption. The result will help us to eliminate the residual absorption and improve the crystal quality.
WOS关键词OPTICAL PARAMETRIC OSCILLATOR
资助项目Open Project of the Key Laboratory of Functional Crystals and Laser Technology, TIPC, Chinese Academy of Sciences[FCLT 202001] ; Open Project of the State Key Laboratory of Advanced Special Steel, Shanghai University[SKLASS 2017-01] ; National Natural Science Foundation of China[51890862]
WOS研究方向Materials Science ; Physics
语种英语
出版者ROYAL SOC CHEMISTRY
WOS记录号WOS:000729911500001
资助机构Open Project of the Key Laboratory of Functional Crystals and Laser Technology, TIPC, Chinese Academy of Sciences ; Open Project of the State Key Laboratory of Advanced Special Steel, Shanghai University ; National Natural Science Foundation of China
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/126460]  
专题中国科学院合肥物质科学研究院
通讯作者Wan, Songming
作者单位1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Anhui Prov Key Lab Photon Devices & Mat, HFIPS, Hefei 230031, Peoples R China
2.Univ Sci & Technol China, Hefei 230026, Peoples R China
3.Adv Laser Technol Lab Anhui Prov, Hefei 230037, Peoples R China
4.Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Beijing 100190, Peoples R China
推荐引用方式
GB/T 7714		 Jiang, Shengjie,Wan, Songming,Luo, Wen,et al. The structural origin of the 15 mu m residual absorption in the BaGa4Se7 crystal[J]. JOURNAL OF MATERIALS CHEMISTRY C,2021.
APA Jiang, Shengjie,Wan, Songming,Luo, Wen,Li, Bin,&Yao, Jiyong.(2021).The structural origin of the 15 mu m residual absorption in the BaGa4Se7 crystal.JOURNAL OF MATERIALS CHEMISTRY C.
MLA Jiang, Shengjie,et al."The structural origin of the 15 mu m residual absorption in the BaGa4Se7 crystal".JOURNAL OF MATERIALS CHEMISTRY C (2021).

入库方式： OAI收割

来源：合肥物质科学研究院

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