摘要
以四面体Fe_4B为原子团,利用多重散射X_a自洽场的方法,对非晶态Fe_(1-x)B_x合金的电子结构进行了计算。分析、对比了原子团Fe_4和Fe_4B的能级分布、轨道等高线图和状态密度分布,讨论了B原子的加入对非晶态Fe_(1-x)B_x合金的电子结构的影响。
Electronic structure of amorphous alloy Fe1-tBx is calculated by using the self-consistent field Xa-scattered-wave method and the tetrahedron Fe4B is taken as the atom cluster.The energy levels,contour maps and densities of state for the atom clusters Fe4 and Fe4B are analyzed and compared,the effect of the B atoms on the electronic structure of amorphous alloy Fe1-xBx is discussed.
出处
《北京航空航天大学学报》
EI
CAS
CSCD
北大核心
1992年第4期15-23,共9页
Journal of Beijing University of Aeronautics and Astronautics
关键词
非晶
铁
硼
电子结构
金属玻璃
amorphous alloys,Fe-B,electronic structure.
