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首页> 外文期刊>Physical review >Theory of metallic double perovskites with spin-orbit coupling and strong correlations: Application to ferrimagnetic Ba_2FeReO_6
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Theory of metallic double perovskites with spin-orbit coupling and strong correlations: Application to ferrimagnetic Ba_2FeReO_6

机译：自旋轨道耦合且强相关的金属双钙钛矿理论：在亚铁磁性Ba_2FeReO_6中的应用

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摘要

We consider a model of the double perovskite Ba_2FeReO_6, a room-temperature ferrimagnet with correlated and spin-orbit-coupled Re t_(2g) electrons moving in the background of Fe moments stabilized by Hund's coupling. We show that for such 3d/5d double perovskites, strong correlations on the 5d element (Re) are essential in driving a half-metallic ground state. Incorporating both strong spin-orbit coupling and the Hubbard repulsion on Re leads to a band structure consistent with ab initio calculations. Using our model, we find a large spin polarization at the Fermi level and obtain a semiquantitative understanding of the saturation magnetization of Ba_2FeReO_6 as well as x-ray magnetic circular dichroism data indicating a significant orbital magnetization. Based on the orbital populations obtained in our theory, we predict a specific doping dependence to the tetragonal distortion accompanying ferrimagnetic order. Finally, the combination of a net magnetization and spin-orbit interactions is shown to induce Weyl nodes in the band structure, and we predict a significant intrinsic anomalous Hall effect in hole-doped Ba_2FeReO_6. The uncovered interplay of strong correlations and spin-orbit coupling lends partial support to our previous work, which used a local moment description to capture the spin-wave dispersion found in neutron scattering measurements. Our work is of interest in the broader context of understanding metallic double perovskites which are of fundamental importance and of possible relevance to spintronic applications.
机译：我们考虑双钙钛矿Ba_2FeReO_6的模型，这是一种室温铁氧体，具有相关的和自旋轨道耦合的Re t_（2g）电子，在由Hund耦合稳定的Fe矩的背景下移动。我们表明，对于这种3d / 5d双钙钛矿，在驱动半金属基态时5d元素（Re）的强相关性至关重要。结合强自旋轨道耦合和Re上的Hubbard排斥力，得出的带结构与从头算相符。使用我们的模型，我们在费米能级上发现了较大的自旋极化，并对Ba_2FeReO_6的饱和磁化强度以及表明轨道磁化强度很强的X射线磁性圆二色性数据进行了半定量的了解。基于我们理论中获得的轨道总体，我们预测了伴随亚铁磁序的四边形畸变的特定掺杂依赖性。最后，净磁化和自旋轨道相互作用的组合显示出能带结构中产生Weyl结，并且我们预测了空穴掺杂的Ba_2FeReO_6中存在明显的固有异常霍尔效应。未发现的强相关性和自旋轨道耦合之间的相互作用为我们以前的工作提供了部分支持，该研究使用局部矩量描述来捕获在中子散射测量中发现的自旋波色散。我们的工作对理解金属双钙钛矿具有广阔的意义，这些金属双钙钛矿具有根本的重要性并且可能与自旋电子学应用相关。

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