A first-principles study on magnetocrystalline anisotropy at interfaces of Fe with non-magnetic metals
A first-principles study on magnetocrystalline anisotropy at interfaces of Fe with non-magnetic metals
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DOI：
10.1063/1.4811685
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发表时间：
2013-06-21
影响因子：
3.2
通讯作者：
Shirai, Masafumi
中科院分区：
文献类型：
--
作者：
Miura, Yoshio;Tsujikawa, Masahito;Shirai, Masafumi
采用第一性原理计算方法研究了Fe（001）与不同非磁性金属（Hf，Zr，Ti，Ta，Nb，V，Ir，Rh，Pt，Pd，Au，Ag，Cu，Zn）界面的磁晶各向异性（MCA）.我们发现，Fe界面与非磁性金属完全占据d状态往往显示垂直MCA。界面Fe原子的自旋轨道耦合在垂直MCA中起着重要作用。相反，Fe界面与非磁性金属部分占据d状态表现出面内MCA。Hf/Fe（001）界面显示出1.5mJ/m（2）的异常大的垂直MCA能量，其对应于MgO/Fe（001）界面。在这些情况下，界面Fe原子对MCA的贡献相对较小，非磁性原子的大自旋轨道耦合是MCA的主要贡献。结果表明，Hf/Fe（001）界面的形成增强了MgO/CoFeB基磁性隧道结的垂直磁化强度。(C)2013 AIP Publishing LLC.
Magnetocrystalline anisotropy (MCA) of Fe(001) interfaces with various non-magnetic metals (Hf, Zr, Ti, Ta, Nb, V, Ir, Rh, Pt, Pd, Au, Ag, Cu, and Zn) was investigated by first-principles calculations. We found that Fe interfaces with non-magnetic metals with fully occupied d states tend to show perpendicular MCA. The spin-orbit coupling in interfacial Fe atoms plays an important role in perpendicular MCA. Conversely, Fe interfaces with non-magnetic metals with partially occupied d states exhibit in-plane MCA. The Hf/Fe(001) interface shows an exceptionally large perpendicular MCA energy of 1.5 mJ/m(2), which corresponds to that of the MgO/Fe(001) interface. In these cases, contributions from interfacial Fe atoms to MCA are relatively small, and the large spin-orbit coupling of non-magnetic atoms is the primary contribution to MCA. We conclude that formation of Hf/Fe(001) interfaces will enhance the perpendicular magnetization of MgO/CoFeB-based magnetic tunnel junctions. (C) 2013 AIP Publishing LLC.