| 碱金属卤化物中键参数拓扑指数与F心能带的相关性研究 |
| |
| 引用本文： | 陈伟,苏勉曾.碱金属卤化物中键参数拓扑指数与F心能带的相关性研究[J].高等学校化学学报,1994,15(1):1-4. |
| |
| 作者姓名： | 陈伟 苏勉曾 |
| |
| 作者单位： | 北京科技大学材料物理系，北京大学化学系 |
| |
| 摘 要： | 从键参数拓扑指数Ｈ４１及Ｆ心的箱势阱模型出发，推测在碱金属卤化物中Ｈ４１与Ｆ心的能带Ｅ（Ｆ）之间应存在一种正相关关系，计算结果验证了理论分析的结果。Ｅ（Ｆ）与Ｈ４１之间良好的线性相关性进一步说明了键参数拓扑指数具有关联无机化合物的性质。
|
| 关 键 词： | 碱金属卤化物 键参数 拓扑指数 F心 |
Studies on Connectivity Between Bonding Parameter Topological Index and F Center Energy Bands in Alkaline Halides |
| |
| CHEN Wei,MA Ru-Zhang.Studies on Connectivity Between Bonding Parameter Topological Index and F Center Energy Bands in Alkaline Halides[J].Chemical Research In Chinese Universities,1994,15(1):1-4. |
| |
| Authors: | CHEN Wei MA Ru-Zhang |
| |
| Abstract: | It is deduced from the bonding parameter topological index H41 and box-well potential model of F center that a positive correlation must be exist ed between H(41) and F energy bands E(F).This theoretical deduction is confirmed by the calculation results.A good linear dependence of E(F) on H(41) reveals that bonding parameter topological index can be really used to correlate the properties of inorganic compounds. |
| |
| Keywords: | Alkaline halides Bonding parameter topological index F center |
| 本文献已被 CNKI 维普 等数据库收录！ |
