Electronic structure and magnetic properties of the cubic Laves phase compounds ACo2(A=Sc, Ti, Zr, Lu and Hf) and ScNi2

Abstract

Electronic structures of d electrons in the intermetallic compounds ScCo₂, TiCo₂, ZrCo₂, LuCo₂, HfCo₂ and ScNi₂ with cubic Laves phase structure are calculated in the tight-binding approximation. By using the calculated density-of-states curves and taking the effect of spin fluctuations into account, the temperature dependences of the paramagnetic spin susceptibility in these compounds are calculated. The magnetic field dependence of the induced magnetic moment in LuCo₂ at 0K is also calculated. Good agreement between the calculated and observed results is obtained. As observed in ZrCo₂ and HfCo₂, moreover, an excess Co atom in the Co-rich non-stoichiometric compounds is shown to have a local magnetic moment.