Fe_3Al金属间化合物的价电子结构分析

The Analysis on Valence Electron Structure (VES) of Fe_3AI Intermetallics Compounds

依据固体与分子经验电子理论,对Fe_3Al金属间化合物进行了价电子结构分析,建立了DO_3型晶胞的键络模型,为揭示合金成分—结构—性能与Fe_3Al合金相价电子结构的关系作了一些初步的尝试。

Based on the empirical electron theory of Solids and molecules, the analysis on VES is made to Fe_3Al intermetailic compounds. The bonding complex model of DO_3celi is set up. Some preliminary attempts at revealing the relationship between alloy composition—structure—property and Fe_3Al alloy phase VES are presented.