Marshal A, Pradeep K G, Music D, Wang L, Petracic O, Schneider J M
Materials Chemistry, RWTH Aachen University, Kopernikusstr. 10, 52074, Aachen, Germany.
Jülich Centre for Neutron Science JCNS and Peter Grünberg Institute PGI, JARA-FIT, Forschungszentrum Jülich GmbH, 52425, Jülich, Germany.
Sci Rep. 2019 May 27;9(1):7864. doi: 10.1038/s41598-019-44351-8.
We report on the influence of the Al content (from 3.5 to 54 at.%) on phase formation and magnetic properties in FeMnCoCrAl high entropy alloy thin film libraries. Al additions to FeMnCoCr crystallizing in the alpha-Mn structure cause the formation of the body centered cubic (BCC) structure. This is consistent with density functional theory predictions as Al additions give rise to a larger stability for the BCC phase compared to the face centered cubic phase (FCC) which can be rationalized by the formation of a pseudogap at the Fermi level indicating the stabilization of the BCC phase over the FCC phase. Al additions to paramagnetic FeMnCoCr induce ferromagnetism. The largest saturation magnetization was measured for the film containing 8 at.% of Al. As the concentration of non-ferromagnetic Al is increased beyond 8 at.%, the number density of the ferromagnetic species is decreased causing a concomitant decrease in magnetization. This trend is consistent with ab initio predictions of the Al concentration induced changes in the magnetic moment. Based on the experimental and theoretical results presented here the effect of the Al concentration on the phase formation and the magnetic properties of FeMnCoCrAl thin film library can be rationalized.
我们报道了铝含量(从3.5到54原子百分比)对FeMnCoCrAl高熵合金薄膜库中相形成和磁性能的影响。向以α-Mn结构结晶的FeMnCoCr中添加铝会导致体心立方(BCC)结构的形成。这与密度泛函理论预测一致,因为与面心立方相(FCC)相比,添加铝会使BCC相具有更大的稳定性,这可以通过在费米能级处形成赝能隙来解释,表明BCC相比FCC相更稳定。向顺磁性的FeMnCoCr中添加铝会诱导铁磁性。对于含8原子百分比铝的薄膜,测得的饱和磁化强度最大。当非铁磁性铝的浓度增加到超过8原子百分比时,铁磁物种的数密度降低,导致磁化强度随之降低。这种趋势与铝浓度引起磁矩变化的从头算预测一致。基于此处给出的实验和理论结果,可以合理解释铝浓度对FeMnCoCrAl薄膜库相形成和磁性能的影响。