Solid state Al-27 NMR investigation of Knight shift tensors of LnAl(2) (Ln=Y, La and Lu) and correlation with DFT calculations
文献类型：期刊论文
| 作者 | Yuan, CC ; Yang, YF ; Xi, XK ; Cui, J ; Xiang, JF |
| 刊名 | SOLID STATE NUCLEAR MAGNETIC RESONANCE
 |
| 出版日期 | 2012 |
| 卷号 | 41页码:28 |
| 关键词 | NUCLEAR-MAGNETIC-RESONANCE ELECTRONIC-STRUCTURE INTERMETALLIC COMPOUNDS LAAL2 COEFFICIENT GLASSES PROGRAM LATTICE LUAL2 CEAL2 |
| ISSN号 | 0926-2040 |
| 通讯作者 | Xi, XK (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | The atomic and electronic structures of LnAl(2) (Ln=Y, La and Lu) on Al sites were characterized by Al-27 solid state NMR spectroscopy. Al-27 isotropic metallic shifts have been determined in these cubic laves phases under both static and magic angle spinning (MAS) conditions. Based on band structure calculations, we found a strong correlation of Al-27 isotropic metallic shifts and s character of the density of states at the Fermi level on Al sites. We also found tetrahedral distortion of Al centered clusters, which can be well characterized by quadruple coupling constants and Knight shift anisotropy. (C) 2011 Elsevier Inc. All rights reserved. |
| 收录类别 | SCI |
| 资助信息 | Chinese Academy of Sciences; NSFC [51071171, 50921091]; 973 programs [2010CB731603, 2011CB012806] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/52738]  |
| 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 | Yuan, CC,Yang, YF,Xi, XK,et al. Solid state Al-27 NMR investigation of Knight shift tensors of LnAl(2) (Ln=Y, La and Lu) and correlation with DFT calculations[J]. SOLID STATE NUCLEAR MAGNETIC RESONANCE,2012,41:28. |
| APA | Yuan, CC,Yang, YF,Xi, XK,Cui, J,&Xiang, JF.(2012).Solid state Al-27 NMR investigation of Knight shift tensors of LnAl(2) (Ln=Y, La and Lu) and correlation with DFT calculations.SOLID STATE NUCLEAR MAGNETIC RESONANCE,41,28. |
| MLA | Yuan, CC,et al."Solid state Al-27 NMR investigation of Knight shift tensors of LnAl(2) (Ln=Y, La and Lu) and correlation with DFT calculations".SOLID STATE NUCLEAR MAGNETIC RESONANCE 41(2012):28. |
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来源：物理研究所
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