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二元AlRE3化合物价电子结构研究
引用本文:王新,林海.二元AlRE3化合物价电子结构研究[J].材料开发与应用,2011,26(2):38-40.
作者姓名:王新  林海
作者单位:1. 中国矿业大学材料科学与工程学院,江苏徐州,221116
2. 中国石油大学机电工程学院,山东青岛,266555
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.

关 键 词:价电子结构  AlRE3  性能

Research on Valence Electron Structure of Binary Rare Earth Aluminum Compound
WANG Xin,LIN Hai.Research on Valence Electron Structure of Binary Rare Earth Aluminum Compound[J].Development and Application of Materials,2011,26(2):38-40.
Authors:WANG Xin  LIN Hai
Affiliation:1.Materials Science and Engineering School,China University of Mining and Technology,Xuzhou 221116,China;2.Mechanical and Electrical Engineering School,China University of Petroleum,Qingdao 266555,China)
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.
Keywords:Valence-electron structure  AlRE3  Property
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