The structural origin of the 15 mu m residual absorption in the BaGa4Se7 crystal | |
Jiang, Shengjie2,3; Wan, Songming2,3,4; Luo, Wen3; Li, Bin2,3; Yao, Jiyong1 | |
刊名 | JOURNAL OF MATERIALS CHEMISTRY C |
2021-11-30 | |
ISSN号 | 2050-7526 |
DOI | 10.1039/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. |
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关键词 | OPTICAL PARAMETRIC OSCILLATOR |
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 |
内容类型 | 期刊论文 |
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, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, Beijing 100190, Peoples R China 2.Univ Sci & Technol China, Hefei 230026, Peoples R China 3.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Anhui Prov Key Lab Photon Devices & Mat, HFIPS, Hefei 230031, Peoples R China 4.Adv Laser Technol Lab Anhui Prov, Hefei 230037, 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). |
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