Polar Spinel-Perovskite Interfaces: an atomistic study of Fe3O4(111)/SrTiO3(111) structure and functionality.
Polar Spinel-Perovskite Interfaces: an atomistic study of Fe3O4(111)/SrTiO3(111) structure and functionality.
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DOI：
10.1038/srep29724
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发表时间：
2016-07-14
影响因子：
4.6
通讯作者：
Lazarov VK
中科院分区：
文献类型：
--
作者：
Gilks D;McKenna KP;Nedelkoski Z;Kuerbanjiang B;Matsuzaki K;Susaki T;Lari L;Kepaptsoglou D;Ramasse Q;Tear S;Lazarov VK
采用原子分辨率扫描透射电子显微镜和电子能量损失光谱结合从头计算电子计算来确定Fe3O4(111)/SrTiO3(111)极性界面的结构和性质。界面结构和化学成分显示出原子锐度和八面体 Fe/SrO3 性质。界面上的能带排列将费米能级固定在 SrTiO3 导带附近。密度泛函理论计算表明 Fe3O4 在界面附近具有非常高的自旋极化，这表明该系统可能是自旋电子应用的绝佳候选者。
Atomic resolution scanning transmission electron microscopy and electron energy loss spectroscopy combined with ab initio electronic calculations are used to determine the structure and properties of the Fe3O4(111)/SrTiO3(111) polar interface. The interfacial structure and chemical composition are shown to be atomically sharp and of an octahedral Fe/SrO3 nature. Band alignment across the interface pins the Fermi level in the vicinity of the conduction band of SrTiO3. Density functional theory calculations demonstrate very high spin-polarization of Fe3O4 in the interface vicinity which suggests that this system may be an excellent candidate for spintronic applications.