Abstract
The spin-polarized electronic band structure calculations are carried out to theoretically investigate the effect of anti-site disordering to the electronic band structure and magnetic properties of LiMgPdSb-type CoFeTiAl alloy. We found that the Co–Ti and Fe–Ti antisite disordering can induce the diluted magnetism in CoFeTiAl alloy. Especially, the Fe–Ti antisite disordering can induce a 100% spin polarization at the Fermi level at a certain degree of anti-site disordering. The Co–Fe antisite disordering is easy to occur in CoFeTiAl alloy but has little effect on the semiconductive characteristic and magnetic properties. The Co, Fe and Ti atoms at the anti-site contribute the magnetization in CoFeTiAl alloy. The diluted magnetism in CoFeTiAl alloy can be induced by the anti-site disordering instead of the introduction of magnetic dopant elements.
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