In-plane/out-of-plane disorder influence on the magnetic anisotropy of Fe 1− y Mn y Pt-L1 0 bulk alloy
In-plane/out-of-plane disorder influence on the magnetic anisotropy of Fe 1− y Mn y Pt-L1 0 bulk alloy
复制标题
面内/面外无序对Fe 1−y Mn y Pt-L1 0 大块合金磁各向异性的影响
DOI：
10.1063/1.4944534
复制
发表时间：
2016
影响因子：
4
通讯作者：
Chantrell, R. W.
中科院分区：
文献类型：
--
作者：
Cuadrado, R.;Liu, Kai;Klemmer, Timothy J.;Chantrell, R. W.
在FePt-L1{sub 0}块状合金中随机替换非磁性物质代替铁原子，将允许调整该材料的磁各向异性能。我们利用第一性原理计算方法研究了固定Pt浓度下Fe{sub 1−y}Mn{sub y}Pt- l1 {sub 0} （y = 0.0, 0.08, 0.12, 0.17, 0.22和0.25）块体合金，当Mn在同一（不同）原子平面上具有铁/反铁磁（FM，AFM）排列时。对于一定量的Mn，这种替换将提高几个平面内晶格值。与FePt-L1{sub 0}体相比，电荷杂化将发生变化，因为这种晶格变化导致了位点分辨磁矩的改变。我们证明，这转化为AFM相位的总磁各向异性降低和FM对准的增强。由于模拟单元中Mn的位置可能不同，因此考虑了固定Mn浓度的几种几何构型。
The random substitution of a non-magnetic species instead of Fe atoms in FePt-L1{sub 0} bulk alloy will permit to tune the magnetic anisotropy energy of this material. We have performed by means of first principles calculations a study of Fe{sub 1−y}Mn{sub y}Pt-L1{sub 0} (y = 0.0, 0.08, 0.12, 0.17, 0.22, and 0.25) bulk alloy for a fixed Pt concentration when the Mn species have ferro-/antiferromagnetic (FM,AFM) alignment at the same(different) atomic plane(s). This substitution will promote several in-plane lattice values for a fixed amount of Mn. Charge hybridization will change compared to the FePt-L1{sub 0} bulk due to this lattice variation leading to a site resolved magnetic moment modification. We demonstrate that this translates into a total magnetic anisotropy reduction for the AFM phase and an enhancement for the FM alignment. Several geometric configurations were taken into account for a fixed Mn concentration because of different possible Mn positions in the simulation cell.