Title :
Disorder-Induced Enhancement of Magnetic Properties in Ball-Milled Fe2CrAl Alloy
Author :
Zhang, H.G. ; Liu, E.K. ; Yue, M. ; Wang, W.H. ; Altounian, Z. ; Wu, G.H.
Author_Institution :
Coll. of Mater. Sci. & Eng., Beijing Univ. of Technol., Beijing, China
Abstract :
First principles calculation for the energies and magnetic moments of Fe2CrAl with various structures has been carried out. The contradiction between theoretical and experimental magnetic moment of Fe2CrAl has been illustrated. The L21-based structure has the lowest energy and thus should be formed during synthesis, while the native magnetic Cr-clusters are responsible for the extra large magnetic moment. Based on these calculations, a metastable and partially disordered B2CD structure has been achieved in a ball-milled Fe2CrAl alloy. It shows a 300 K higher TC and a 1.5 μB higher MS, respectively, compared with the arc-melted samples with L21-based structures.
Keywords :
ab initio calculations; aluminium alloys; ball milling; chromium alloys; iron alloys; magnetic moments; order-disorder transformations; Fe2CrAl; L21-based structures; L21-based structure; arc melted samples; ball milling; disorder-induced enhancement; first principles calculation; iron chromium aluminum alloy; magnetic moments; magnetic properties; metastable B2CD structure; native magnetic Cr-clusters; partially disordered B2CD structure; Annealing; Ball milling; Iron; Magnetic moments; Magnetic properties; Magnetization; Ball milling; Fe2CrAl; Heusler alloy; ball milling; disorder;
Journal_Title :
Magnetics, IEEE Transactions on
DOI :
10.1109/TMAG.2015.2455493
