【摘要】 本文对有序和无序Fe-Co合金的价电子结构进行了计算,给出了价电子结构分布参数(共价电子数、晶格电子数,键共价电子对数)。定量计算Fe-Co合金的玻尔磁子数和磁矩随合金成分变化规律。并从价电子结构深度,探讨了Fe-Co50at％合金的脆性本质。更多还原

【Abstract】 Introducing the empirical electron theory of solid and molecules into Fe-Co system alloy,this paper makes an attempt to analyze the valence electron structures of different alloys with various Co contents and to calculate parameters concerning bond structure,such as the bond distance D(n),number of bonds I,number of pairs of valence electrons of a certain bond nα and the total number of valence electrons n etc.After giving the calculating formulas besed on the empirical electron theory,results calculated with various Co contents in atom% have been tabulated respectively as shown in Tables 1~7 for BCC disordered structures,8~12 for BCC ordered structures and 13-14 for BCC superstructures.In all cases as shown above,the differences in bond distance between calculation and experiment ΔD are also given respectively in each table.Relative errors ΔD/D arc so small that a maximum is only 1.9%,the reliability of empirical electron theory is then proved here again.Calculations of magnetic moments in terms of Bohr magnetons μB and number of lattice electrons nl are followed from hybride levels a and the composition of alloy,thus showing the variation of magnetic moment with alloy composition.With respect to the brittleness of Fe-Co 50% alloy,differing from the previous view point that the brittlement is considerdd to be caused mainly by the ordered structure,this paper indicates that the brittleness of Fe-Co 50% alloy is regardless of itself because of its good plasticity as determined by the number of lattice electrons,of which it is calculated to be equal to about 1.5 no matter whether the alloy is ordered or disordered.更多还原