摘要
在价电子理论中提出了原子平均共价电子密度的概念 ,计算了马氏体中典型结构单元内各晶面上的原子平均共价电子密度 .研究表明 :在相邻晶面上的原子平均共价电子密度应连续是不同结构类型单元相邻的必要条件 ,把此条件应用于余氏理论的价电子结构计算中 ,可以消除或减少多重解 .
The concept of atomic average covalence electron density (AACED) has been advanced in the valence electron theory. By using it, the AACED on the crystal faces of typical structural unit in martensite cell is evaluated. The study shows that the continuity of AACED on an adjacent crystal face is the necessary condition that the heterogeneous structural units could become neighboring and ,when use this condition in the calculation of valence electron structure in EET, the multiple valued solutions can be eliminated or decreased.
出处
《甘肃工业大学学报》
2000年第4期23-27,共5页
Journal of Gansu University of Technology
关键词
余氏理论
原子平均共价电子密度
马氏体晶胞
EET
covalence electron
electron density
structural unit
martensite cell
