Zhu Jian-Xin, Wen Xiao-Dong, Haraldsen J T, He Mi, Panagopoulos C, Chia Elbert E M
1] Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA [2] Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Sci Rep. 2014 Jun 20;4:5368. doi: 10.1038/srep05368.
Transition metal oxides (TMOs) exhibit many emergent phenomena ranging from high-temperature superconductivity and giant magnetoresistance to magnetism and ferroelectricity. In addition, when TMOs are interfaced with each other, new functionalities can arise, which are absent in individual components. Here, we report results from first-principles calculations on the magnetism at the BiFeO3/YBa2Cu3O7 interfaces. By comparing the total energy for various magnetic spin configurations inside BiFeO3, we are able to show that a metallic ferromagnetism is induced near the interface. We further develop an interface exchange-coupling model and place the extracted exchange coupling interaction strengths, from the first-principles calculations, into a resultant generic phase diagram. Our conclusion of interfacial ferromagnetism is confirmed by the presence of a hysteresis loop in field-dependent magnetization data. The emergence of interfacial ferromagnetism should have implications to electronic and transport properties.
过渡金属氧化物(TMOs)展现出许多新奇现象,从高温超导、巨磁阻到磁性和铁电性。此外,当TMOs相互接触时,会出现单个组分中不存在的新功能。在此,我们报告关于BiFeO3/YBa2Cu3O7界面磁性的第一性原理计算结果。通过比较BiFeO3内部各种磁自旋构型的总能量,我们能够表明在界面附近诱导出了金属铁磁性。我们进一步开发了一个界面交换耦合模型,并将从第一性原理计算中提取的交换耦合相互作用强度放入一个通用相图中。场依赖磁化数据中磁滞回线的存在证实了我们关于界面铁磁性的结论。界面铁磁性的出现应该对电子和输运性质有影响。