Interface magnetic moments enhancement of FePt-L10/MgO(001): An ab initio study

被引：14

作者：

Cuadrado, R. ^{[1
]}

Chantrell, R. W. ^{[1
]}

机构：

[1] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England

来源：

PHYSICAL REVIEW B | 2014年 / 89卷 / 09期

关键词：

FEPT; ANISOTROPY; PSEUDOPOTENTIALS; ALLOY; FILMS;

D O I：

10.1103/PhysRevB.89.094407

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The interface between FePt-L1(0) and MgO(001) alloys has been studied using density-functional calculations. Because the stacking of the face-centered tetragonal L1(0) phase is formed by alternating Fe and Pt planes, both the Fe- and Pt-terminated contact layers were studied. Furthermore, due to the large mismatch between the in-plane lattice constants of both systems, we have chosen some common a values for both alloys in order to explore in detail the adsorption energy, the electronic structure, and the interface magnetism. The adsorption energy has been calculated by subtracting the energy of clean FePt and MgO alloys from the total energy. The preferred adsorbed geometric sites for Fe/Pt atoms are when they lie on top of the O species, having a smaller adsorption energy for the remaining positions. We found that expanding the MgO lattice enhances the magnetic moment of the Fe species but the Pt moments remain almost constant.

引用

页数：7

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