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.