Anisotropic dispersion of the band structure and formation of ring patterns in CBED
文献类型：期刊论文
| 作者 | Peng, LM ; Zuo, JM |
| 刊名 | ACTA CRYSTALLOGRAPHICA SECTION A
 |
| 出版日期 | 1999 |
| 卷号 | 55页码:1026 |
| 关键词 | ELECTRON-DIFFRACTION |
| ISSN号 | 0108-7673 |
| 通讯作者 | Peng, LM: Peking Univ, Dept Elect, Beijing 100871, Peoples R China. |
| 中文摘要 | The lattice dynamics of 19 compounds with the sodium chloride structure have been investigated using shell models. The models are compared with: existing experimentally measured phonon-dispersion curves and refined using a multidimensional downhill simplex method. Debye-Waller factors for these compounds are calculated over the temperature range from 1 to 1000 K where appropriate and the results are fitted analytically using polynomial regression. The results are compared with experimentally measured room-temperature Debye-Waller factors and for most of the compounds the agreement is found to be better than 10%. At lower temperatures, it is expected that these results would be more accurate, since the harmonic approximation, which is crucial to the calculation of the Debye-Waller factors, works better. In choosing the models for particular applications, it is recommended that the model with the smallest standard error sigma is used for fitting the experimentally measured phonon-dispersion curves, or the model that shows best agreement with reliable experimental measurements of more relevant physical quantities, such as Debye-Waller factors in crystallography. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/33768]  |
| 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 | Peng, LM,Zuo, JM. Anisotropic dispersion of the band structure and formation of ring patterns in CBED[J]. ACTA CRYSTALLOGRAPHICA SECTION A,1999,55:1026. |
| APA | Peng, LM,&Zuo, JM.(1999).Anisotropic dispersion of the band structure and formation of ring patterns in CBED.ACTA CRYSTALLOGRAPHICA SECTION A,55,1026. |
| MLA | Peng, LM,et al."Anisotropic dispersion of the band structure and formation of ring patterns in CBED".ACTA CRYSTALLOGRAPHICA SECTION A 55(1999):1026. |
入库方式： OAI收割
来源：物理研究所
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