Crystal Growth and First-Principles Calculations of the Mid-IR Laser Crystal Dy3+:PbGa2S4
文献类型：期刊论文
| 作者 | Huang, Changbao1 ; Ni, Youbao1; Wu, Haixin1; Wang, Zhenyou1; Jiang, Pengfei1,2; Han, Weimin1,2
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| 刊名 | CRYSTAL GROWTH & DESIGN
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| 出版日期 | 2020-02-01 |
| 卷号 | 20 |
| ISSN号 | 1528-7483 |
| DOI | 10.1021/acs.cgd.9b01230 |
| 通讯作者 | Wu, Haixin(hxwu@aiofm.ac.cn) |
| 英文摘要 | A Dy3+-doped PbGa2S4 crystal with low phonon energy has been proved to be able to achieve the direct lasing of a mid-infrared laser. The single-crystal growth of Dy3+:PbGa2S4 was investigated in this work. On the basic of the high-purity polycrystalline material synthesized using a pressure-assisted method, a Dy3+:PbGa2S4 single crystal with phi 21 x 50 mm(3) was successfully grown using the Bridgman method with a crucible-capsule technique. To understand the cleavage character of the PbGa2S4 crystal and get further insight into its electronic and phonon properties, the electronic, phonon, and mechanical properties of the PbGa(2)S(4 )host were investigated using first-principles calculations. PbGa2S4 exhibits not only a large electronic energy gap (2.76 eV) but also a low phonon energy (392 cm(-1)) due to the incorporation of heavy Pb atoms between the interlayers. The high-frequency phonon bands of PbGa2S4 are mainly contributed by the vibrations of Ga-S atoms in the layer network formed by GaS4 units. However, the weak Pb-S bonding connecting the alternating layers results in cleavage behavior of the PbGa2S4 crystal. We believe that the results of this paper could provide useful references for preparing or designing new chalcogenide hosts for mid-infrared lasers. |
| WOS关键词 | OPTICAL SPECTROSCOPY ; AB-INITIO ; MU-M ; SE |
| 资助项目 | National Natural Science Foundation of China (NSFC)[51702323] ; Fujian Institute of Innovation, Chinese Academy of Sciences[FJCXY18030103] |
| WOS研究方向 | Chemistry ; Crystallography ; Materials Science |
| 语种 | 英语 |
| 出版者 | AMER CHEMICAL SOC |
| WOS记录号 | WOS:000512216600037 |
| 资助机构 | National Natural Science Foundation of China (NSFC) ; Fujian Institute of Innovation, Chinese Academy of Sciences |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/103933]  |
| 专题 | 中国科学院合肥物质科学研究院 |
| 通讯作者 | Wu, Haixin |
| 作者单位 | 1.Chinese Acad Sci, Anhui Inst Opt & Fine Mech, Hefei, Peoples R China 2.Univ Sci & Technol China, Hefei, Peoples R China |
| 推荐引用方式 GB/T 7714 | Huang, Changbao,Ni, Youbao,Wu, Haixin,et al. Crystal Growth and First-Principles Calculations of the Mid-IR Laser Crystal Dy3+:PbGa2S4[J]. CRYSTAL GROWTH & DESIGN,2020,20. |
| APA | Huang, Changbao,Ni, Youbao,Wu, Haixin,Wang, Zhenyou,Jiang, Pengfei,&Han, Weimin.(2020).Crystal Growth and First-Principles Calculations of the Mid-IR Laser Crystal Dy3+:PbGa2S4.CRYSTAL GROWTH & DESIGN,20. |
| MLA | Huang, Changbao,et al."Crystal Growth and First-Principles Calculations of the Mid-IR Laser Crystal Dy3+:PbGa2S4".CRYSTAL GROWTH & DESIGN 20(2020). |
入库方式： OAI收割
来源：合肥物质科学研究院
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