Electronic Structure and Magnetic Properties of Intermetallic Alloys |
| A. Jezierski, M. Pugacheva, J.A. Morkowski and A. Szajek Institute of Molecular Physics, Polish Academy of Sciences, Smoluchowskiego 17, 60-179 Poznań, Poland |
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| 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 Pd2TiAl alloy is similar to ultraviolet photoelectron spectroscopy measurements. The self-consistent band calculations showed that the density of states at the Fermi level in Ni2(Nb(1-x)Tix)Sn and Ni2(Nb(1-x)Tax)Sn alloys decreased with the increase in Ti or Ta concentration. The total and local magnetic moments in ordered Rh2TMSn (TM = Mn, Fe, Co, Ni, Cu) and Rh2MnX (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. |
| DOI: 10.12693/APhysPolA.91.151 PACS numbers: 71.20.-b, 75.10.Lp |