Phase stability of carbon clathrates at high pressure
文献类型：期刊论文
| 作者 | Wang, JT ; Chen, CF ; Wang, DS ; Mizuseki, H ; Kawazoe, Y |
| 刊名 | JOURNAL OF APPLIED PHYSICS
 |
| 出版日期 | 2010 |
| 卷号 | 107期号:6 |
| 关键词 | AUGMENTED-WAVE METHOD X-RAY-DIFFRACTION ULTRASOFT PSEUDOPOTENTIALS GRAPHITE SILICON FULLERENE C-36 |
| ISSN号 | 0021-8979 |
| 通讯作者 | Wang, JT (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Inst Phys, Beijing 100080, Peoples R China. |
| 中文摘要 | A novel chiral orthoborate, KMgBO3, has been successfully synthesized via a standard solid-state reaction, and the crystal structure has been determined from powder X-ray diffraction data. It crystallizes in the cubic chiral space group P2(1)3. Isolated [BO3](3-) anionic groups, which are the fundamental building units, are distributed around the (111) crystallographic direction in an axial C-3 symmetry, and the configuration of O-3 planes is helical, similar to the aplanar ClO3 groups in NaClO3, which indicates an optical activity in it and is validated by the circular dichroism spectrum. The chiral feature of the borate is unique, and because of the noncentrosymmetric structure, the compound exhibits nonlinear optical properties, which are validated by second harmonic generation powder measurement. It has a wide transparency, including the vacuum ultraviolet region, The relations between the structures of KMgBO3 and NaClO3 and structural conversion form KMgBO3 to NaMgBO3 are also discussed. The ionic radii, interatomic distance, and the rigid tilting of BO3 groups are considered to be the main factors in the crystallization of different structures. |
| 收录类别 | SCI |
| 资助信息 | Natural Science Foundation of China [10974230]; Chinese Academy of Sciences [KJCX2-YW-W22]; U.S. Department of Energy [DEFC52-06NA26274] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/50808]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, JT,Chen, CF,Wang, DS,et al. Phase stability of carbon clathrates at high pressure[J]. JOURNAL OF APPLIED PHYSICS,2010,107(6). |
| APA | Wang, JT,Chen, CF,Wang, DS,Mizuseki, H,&Kawazoe, Y.(2010).Phase stability of carbon clathrates at high pressure.JOURNAL OF APPLIED PHYSICS,107(6). |
| MLA | Wang, JT,et al."Phase stability of carbon clathrates at high pressure".JOURNAL OF APPLIED PHYSICS 107.6(2010). |
入库方式： OAI收割
来源：物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。