【摘要】 根据A15化合物的物理性质、化学结构及组元原子的配位细节,经过计算,本文给出了一套A15化合物的原子半径,分为基组元半径r_A及非基组元半径r_B;并给出了一种计算A15化合物晶胞常数的新模式:计算结果与实验值比较,误差都在0.009A°以内。目前国际上的水平是在0.03A°以内。 我们认为,阶梯区域内的元素(见图2),在形成A15化合物时,其空带nd也参与成键,对A-A链及超导体育影响作用。更多还原

【Abstract】 According to physical properties,chemical structures and atomic coordination details of constituents of A15 compounds,this article presents a set of atomic radii of A15 compounds through calculation,which consist of atomic radii rA ofthe radical constituent and rB of the non-radical constituent; and gives a new cal-culation pattern of lattice constant of A15 compounds.a= (rA+rB).Theerrors of calculated values from experimental results are less than 0.009A: whereas those at the present international level are less than 0.03.AWe conclude that empty band nd of elements in echelon region (see Fig.2 ) has in its turn a hand in bonding during the formation of A15 compounds,and hence it has influence on the A-A chain and superconductor.更多还原