| QIANG Jianbing,KE Xing,WANG Yingmin,SUN Jizhong,LIU Tianwei,DONG Chuang.Cluster formulas of Hume-Rothery phases[J].,2015,55(4):366-372 |
| Cluster formulas of Hume-Rothery phases |
| Hume-Rothery相的团簇式 |
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| DOI：10.7511/dllgxb201504005 |
| 中文关键词: Hume-Rothery phases electron concentration cluster-plus-glue-atom model cluster formula |
| 英文关键词: Hume-Rothery相 电子浓度 团簇加连接原子模型 团簇式 |
| 基金项目:中央高校基本科研业务费专项资金资助项目(DUT13ZD102)；中国工程物理研究院科学技术重点发展基金资助项目(2013A0301015)；国防基础科研项目(B1520133007)；国际热核聚变实验堆计划资助项目(2013GB107003). |
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| 中文摘要: |
| Hume-Rothery phases sharing the same e/a (electron concentration, which usually is 1.50(=21/14), 1.62(=21/13), 1.75(=21/12)) crystallize into many different types of structures based on a common Bravais lattice, hence the e/a alone can not be used as the finger print parameter specifying a Hume-Rothery phase. A refined electronic structure parameter is desirable for the classification of Hume-Rothery phases in a more rigorous manner. So the cluster-plus-glue-atom model is used to decipher the structures of Hume-Rothery phases, from which the cluster formula and relative number of electrons per unit formula, e/u , are derived. Hume-Rothery phases with an identical e/a are classified by e/u , so e/u is a new parameter to specify Hume-Rothery phase structures. |
| 英文摘要: |
| Hume-Rothery相的电子浓度(e/a)一般为特定值1.50(=21/14)、1.62(=21/13)或1.75(=21/12),但相同电子浓度的相常基于布拉维格呈现不同晶体结构,因此,e/a 并不能作为准确区分Hume-Rothery相结构类型的特征参数.为此需要一个更精细的结构参数对Hume-Rothery相进行更严谨的划分.运用团簇加连接原子模型分析常见的Hume-Rothery相 得到了各类Hume-Rothery相的团簇式和相关单位团簇电子数 e/u,发现 e/u 能有效对具有相同 e/a 的Hume-Rothery相进行归类,是区分Hume-Rothery相结构类型的新参数. |
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