二元AlRE3化合物价电子结构研究

Research on Valence Electron Structure of Binary Rare Earth Aluminum Compound

    摘要
  • 摘要: 本文以固体与分子经验电子理论(EET)为基础,用键距差(BLD)法对5种二元AlRE3化合物进行了价电子结构的计算。通过分析发现,5种二元AlRE3化合物的最强键键能远大于Al的最强键键能,且塑性、弹性和强度均显著提高。

     

    Abstract: Based on the empirical electron theory(EET) of solids and molecules,the valence-electron structures of five kinds of binary compounds AlRE3 were calculated.Analysis manifests that the strongest key energy of the the binary compounds is higher than that of Al.The plasticity,elasticity and strength of their compounds also increase obviously.

     

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