Quantitative local structure determination in mica crystals: ab initio simulations of polarization XANES at the potassium K-edge
文献类型：期刊论文
| 作者 | Xu W(徐伟) ; Chen DL(陈栋梁); Chu WS(储旺盛); Wu ZY(吴自玉); Xu, W; Chen, DL; Chu, WS; Wu, ZY; Marcelli, A; Mottana, A
|
| 刊名 | JOURNAL OF SYNCHROTRON RADIATION
 |
| 出版日期 | 2011 |
| 卷号 | 18期号:3页码:418-426 |
| 关键词 | mica angle-resolved XANES layered structure muffin-tin potentials multiple-scattering-theory |
| 通讯作者 | [Xu, Wei ; Chen, Dongliang ; Chu, Wangsheng ; Wu, Ziyu] Inst High Energy Phys, BSRF, Beijing 100049, Peoples R China ; [Wu, Ziyu] Univ Sci & Technol China, NSRL, Hefei 230026, Peoples R China ; [Wu, Ziyu] Chinese Acad Sci, Theoret Phys Ctr Sci Facil, Beijing 100049, Peoples R China ; [Marcelli, Augusto ; Mottana, Annibale] Ist Nazl Fis Nucl, LNF, I-00044 Frascati, RM, Italy ; [Marcelli, Augusto] Univ Sci & Technol China, Chinese Acad Sci, Hefei 230026, Peoples R China ; [Mottana, Annibale] Univ Roma Tre, Dipartimento Sci Geol, I-00146 Rome, Italy ; [Soldatov, Alexander] So Fed Univ, Ctr Nanoscale Struct Matter, Rostov Na Donu 344090, Russia ; [Brigatti, Maria Franca] Univ Modena & Reggio Emilia, Dipartimento Sci Terra, I-41100 Modena, Italy |
| 英文摘要 | An attempt to refine the local structure of a layered structure such as mica is made by combining angle-resolved XANES (AXANES) and single-crystal X-ray diffraction (SC-XRD) experiments. Ab initio calculations of AXANES spectra of several tri-octahedral micas have been used to further interpolate experimental data and to deduce physico/chemical effects. Structural distortions have been found highly correlated with the compositional disordering that arises from electronic interactions between anions and cations, and extend the interlayer entering deep into nearby tetrahedral and octahedral sheets. Multiple occupations at the same atomic site have been investigated in detail both in the parallel and perpendicular components of AXANES spectra. Finally, the best fit obtained, computed in the framework of the multiple-scattering theory, is presented and the limitations of the muffin-tin potential in layered systems are briefly discussed. |
| 学科主题 | Instruments & Instrumentation; Optics; Physics |
| 类目[WOS] | Instruments & Instrumentation ; Optics ; Physics, Applied |
| 研究领域[WOS] | Instruments & Instrumentation ; Optics ; Physics |
| 原文出处 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000291401900013 |
| 源URL | [http://ir.ihep.ac.cn/handle/311005/237397]  |
| 专题 | 高能物理研究所_多学科研究中心 |
| 作者单位 | 中国科学院高能物理研究所 |
| 推荐引用方式 GB/T 7714 | Xu W,Chen DL,Chu WS,et al. Quantitative local structure determination in mica crystals: ab initio simulations of polarization XANES at the potassium K-edge[J]. JOURNAL OF SYNCHROTRON RADIATION,2011,18(3):418-426. |
| APA | 徐伟.,陈栋梁.,储旺盛.,吴自玉.,Xu, W.,...&Brigatti, MF.(2011).Quantitative local structure determination in mica crystals: ab initio simulations of polarization XANES at the potassium K-edge.JOURNAL OF SYNCHROTRON RADIATION,18(3),418-426. |
| MLA | 徐伟,et al."Quantitative local structure determination in mica crystals: ab initio simulations of polarization XANES at the potassium K-edge".JOURNAL OF SYNCHROTRON RADIATION 18.3(2011):418-426. |
入库方式： OAI收割
来源：高能物理研究所
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。