Refractive properties of the alpha-BaGeO3 crystal and their origins: a density functional theory study
文献类型：期刊论文
| 作者 | Wan, Songming1,2 ; Jiang, Shengjie1,3; Zeng, Yu1,3; Luo, Wen1
|
| 刊名 | CRYSTENGCOMM
 |
| 出版日期 | 2020-10-28 |
| 卷号 | 22 |
| ISSN号 | 1466-8033 |
| DOI | 10.1039/d0ce01265c |
| 通讯作者 | Wan, Songming(smwan@aiofm.ac.cn) |
| 英文摘要 | Birefringent crystals are often applied to manipulate polarized states of light, yet the birefringent crystals used in the important mid-IR region are scarce. alpha-BaGeO3 is a potential mid-IR birefringent crystal due to its high mid-IR transmittance and strong structural anisotropy. Here, on the basis of density functional theory (DFT) calculations, we report the refractive characteristics of alpha-BaGeO3. The crystal is a positive biaxial crystal with the optical principal axes x, y and z parallel to the crystallographic b axis, 2.5 degrees off the a axis, and 19.3 degrees off the c axis, respectively. In the mid-IR region, the principle refractive indices n(x), n(y) and n(z) are about 1.6297, 1.6308, and 1.6848, respectively. The maximum birefringence is about 0.055 which emerges when a light beam propagates along the x axis. These results indicate that the alpha-BaGeO3 crystal is a promising birefringent crystal used in the mid-IR region. Interestingly, alpha-BaGeO3 is quite similar to a uniaxial crystal in refractive characteristics, which is due to its unique layer structure. The refractive characteristics of alpha-BaGeO3 are associated with the Ba-O bonds; their spatial orientations determine the optical anisotropy of the crystal. |
| WOS关键词 | BIREFRINGENCE ; CALCITE ; GROWTH |
| 资助项目 | National Natural Science Foundation of China[51372246] ; Open Project of State Key Laboratory of Advanced Special Steel, Shanghai University ; Open Project of Key Laboratory of Functional Crystals and Laser Technology, TIPC, CAS |
| WOS研究方向 | Chemistry ; Crystallography |
| 语种 | 英语 |
| WOS记录号 | WOS:000579830600005 |
| 出版者 | ROYAL SOC CHEMISTRY |
| 资助机构 | National Natural Science Foundation of China ; Open Project of State Key Laboratory of Advanced Special Steel, Shanghai University ; Open Project of Key Laboratory of Functional Crystals and Laser Technology, TIPC, CAS |
| 源URL | [http://ir.hfcas.ac.cn:8080/handle/334002/104530]  |
| 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, Hefei 230031, Peoples R China 2.Shanghai Univ, State Key Lab Adv Special Steel, Shanghai 20044, Peoples R China 3.Univ Sci & Technol China, Hefei 230026, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wan, Songming,Jiang, Shengjie,Zeng, Yu,et al. Refractive properties of the alpha-BaGeO3 crystal and their origins: a density functional theory study[J]. CRYSTENGCOMM,2020,22. |
| APA | Wan, Songming,Jiang, Shengjie,Zeng, Yu,&Luo, Wen.(2020).Refractive properties of the alpha-BaGeO3 crystal and their origins: a density functional theory study.CRYSTENGCOMM,22. |
| MLA | Wan, Songming,et al."Refractive properties of the alpha-BaGeO3 crystal and their origins: a density functional theory study".CRYSTENGCOMM 22(2020). |
入库方式： OAI收割
来源：合肥物质科学研究院
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