Electronic Structure and Magnetic Properties of Intermetallic Alloys

We present the influence of local ordering on the electronic and magnetic properties of Heusler-type alloys. The band structure and magnetic moments are calculated by ab initio spin-polarized tight binding linear muffin-tin orbital method. The calculated electronic density of states for Pd$\text{}_{2}$TiAl alloy is similar to ultraviolet photoelectron spectroscopy measurements. The self-consistent band calculations showed that the density of states at the Fermi level in Ni$\text{}_{2}$(Nb$\text{}_{(1-x)}$Ti$\text{}_{x}$)Sn and Ni$\text{}_{2}$(Nb$\text{}_{(1-x)}$Ta$\text{}_{x}$)Sn alloys decreased with the increase in Ti or Ta concentration. The total and local magnetic moments in ordered Rh$\text{}_{2}$TMSn (TM = Mn, Fe, Co, Ni, Cu) and Rh$\text{}_{2}$MnX (X = Al, Ga, In, Ge, Sb, Pb) Heusler-type alloys are calculated. The difference between theoretical and experimental results can be connected to the partial disorder in the samples.