| Ni_3Al合金的价电子结构 |
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| 引用本文： | 刘丹. Ni_3Al合金的价电子结构[J]. 济宁师范专科学校学报, 2008, 29(3) |
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| 作者姓名： | 刘丹 |
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| 作者单位： | 济宁学院物理系 山东曲阜; |
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| 摘 要： | 利用固体与分子经验电子理论(EET)研究了Ll2型N(i)3 Al有序晶体结构,在采用键距差方法计算时,共考虑四种共价键.根据键距差最小的原则,确定N(i)3 Al中实际的原子状态为:A:13, AlM的杂阶为为A:4.
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| 关 键 词： | 固体与分子经验电子理论 价电子结构 |
Valence electron structure of Ni_3Al |
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| LIU Dan. Valence electron structure of Ni_3Al[J]. Journal of Jining Teachers College, 2008, 29(3) |
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| Authors: | LIU Dan |
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| Affiliation: | LIU Dan(Department of physics,Jining University,Qufu 273155,Sh,ong) |
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| Abstract: | Valence Electron structures(VES) of L12 ordered Ni3Al are theoretically investigated based on the Empirical Electron Theory of Solids and Moleculars(EET).There are 48 EET atom states to meet the criterion that bond length difference is less than 0.005nm for each state.The most stable state,with the shortest bond length,is achieved when Ni atom is in A:13 hybrid level,and Al in 4 hybrid level. |
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| Keywords: | N(i)3 Al |
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