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应用ＥＨＴ紧束缚能带计算方法， 系统研究了Ｔｉ－４８Ａｌ－２Ｍ 为模型的γ－ＴｉＡｌ掺杂合金的电子结构。发现能有效地改善合金塑性的元素Ｖ、Ｃｒ、Ｍｎ 主要在两方面改变了γ－ＴｉＡｌ合金的电子结构，即改善Ｔｉ周围成键强度的各向均衡性和改变Ｔｉ、Ａｌ参与成键的电子分布，使成键电子云的球形化成分增大。研究结果表明Ｖ、Ｃｒ、Ｍｎ 等取代Ａｌ时成键的均衡性及电子云球形化均增大，从而有利于材料变形改善塑性，而加入Ｆｅ、Ｃｏ、Ｎｉ虽然改善电子云的球形化但却不利于成键强度的均衡性，因而对合金的塑性无明显改善。
The electron structure of γ-TiAl doping alloy with Ti-48Al-2M as a model has been systematically studied by using EHT tight bond band calculation method. It is found that the elements V, Cr, Mn that can effectively improve the plasticity of the alloy change the electronic structure of the γ-TiAl alloy mainly in two aspects, that is, improve the isotropy of the bonding strength around Ti and change the electron involved in the bonding of Ti and Al Distribution, so that the formation of electron-spliced spherical particles increased. The results show that when Al, V, Cr and Mn replace Al, the bonding equilibrium and electron cloud sphericity increase, which is favorable for the deformation of the material to improve the plasticity. However, the addition of Fe, Co and Ni improves the sphericity of the electron cloud Not conducive to bond strength of the balance, so no significant improvement in the plasticity of the alloy.