Electronic structure of MnSi0.7Al1.3 and related transition metal alloys with the TiSi2 structure

The densities of states of some ternary alloys (NbSi1.4Al0.6, MoAl1.3Si0.7, MoGa1.4Ge0.6, MnAl1.3S0.7) with the TiSi2 structure have been obtained wit h the tight binding-linear muffin tin orbital (TB-LMTO)-average T matrix ap proximation (ATA) method and have been found to be similar to those of the chimney-ladder structures, previously computed with the same method. This i s in agreement with the similar behaviour of their valence electron concent ration. MnAl1.3Si0.7, has been found found to be magnetic and a more elabor ate KKR-CPA calculation predicts a magnetic moment of 0, 4 mu (B) for Mn in this alloy. (C) 2001 Elsevier Science B.V. All rights reserved.