【摘要】 用原子轨道（AO）与键轨道（BO）线性组合方法计算了四方CaC₂型化合物的能带,这些化合物有KO₂、CaO₂、MgC₂、Y_C2、LaC₂、UC₂等。推出了它们的导电规律与键级。所有这些结论已被已有的实验数据所证实。更多还原

【Abstract】 In this work we calculate the energy bands of tetragonal CaC2 type compounds, such as KO2, CaO2, MgC2, YC2, LaC2, UC2 etc., by linear combination AO with BO. We alse deduce electric conduction rule and bond order of this kind of compounds. All of these results have been varified by experimental data that we have had.更多还原