Vacancy formation energy in disordered FePt mediated by distortion and magnetism

H. Luo, W. Xia, J. Du, J. Zhang, A. Yan, J. Liu
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Abstract

FePt has a potential application in high-density recording medium owing to the strong uniaxial magnetocrystalline anisotropy of its L10-ordered phase, which suppresses superparamagnetism in small particles. However, in most cases, the as-prepared samples are completely disordered A1 phase (face-centered cubic) and have no uniaxial anisotropy. The subsequent annealing for ordering is usually subjected to unexpected side effects like coalescence and grain coarsening. Much attention has thus been paid to lowering the annealing temperature or accelerating the ordering process [1-3]. In close packed structures, the migration of atoms proceeds basically with the help of vacancies. Higher vacancy concentration corresponds to faster migration of atoms. Hence, the mechanism of tuning the vacancy formation energy in disordered A1-FePt is of great importance. However, investigation on this topic is rare in the literature. In view of the existence of interface strain due to lattice mismatch in the particle thin films and variation of magnetism when raising temperature for annealing, this study is dedicated to theoretical investigation of the effect of distortion and magnetism on vacancy formation energy of A1-FePt .
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畸变和磁性介导的无序FePt的空位形成能
FePt具有较强的单轴磁晶各向异性,可以抑制小颗粒中的超顺磁性,因此在高密度记录介质中具有潜在的应用前景。然而,在大多数情况下,制备的样品是完全无序的A1相(面心立方),没有单轴各向异性。随后的有序退火通常会产生意想不到的副作用,如聚结和晶粒粗化。因此,降低退火温度或加速排序过程受到了很多关注[1-3]。在紧密排列的结构中,原子的迁移基本上是借助空位进行的。空位浓度越高,原子迁移越快。因此,调整无序A1-FePt中空位形成能的机制具有重要意义。然而,关于这一主题的研究在文献中很少。考虑到颗粒薄膜中晶格失配导致界面应变的存在以及退火温度升高时磁性的变化,本研究致力于从理论上研究变形和磁性对A1-FePt空位形成能的影响。
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