Effect of 3d transition elements substitution for Ni in Ni2Mn1+xSn1-x on the phase stability and magnetic properties: A first principle investigation
作者： Cheng-Bao Jiang , Hui-Bin Xu , Xu Wang , Jia-Xiang Shang , Fu-He Wang
DOI: 10.1016/J.JMMM.2014.05.040
关键词:
摘要: Abstract In hope of understanding the origin 3d-transition elements doping effect on phase stability and magnetic properties ferromagnetic shape memory Heusler alloy Ni–Mn–Sn, Ni–Z–Mn–Sn system with Z=Ni, Cu, Co, Fe, Mn Cr is investigated using first-principles calculations. The calculated results show that energetically favorable order L21 structure antiferromagnetic for Z=Ni Z=Co, Cr. However, L10 structure, state has an energetical preference each alloy. Accordingly, a transition accompanies martensite transformation large change in moment can be observed alloys under state, which mainly dependent coupling behaviors doped atoms. weak between Ni/Cu Mn, strong Co/Fe Mn/Cr play important role structures. Furthermore, Bethe–Slater model employed to gain further regulation different elements, very sensitive interatomic distance. These may help gaining insight into behavior these metals provide some theoretical aid material design.
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