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arXiv 1107.0887cond-mat.mtrl-sci
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X射线线性二向色性探测亚铁磁Mn2CoGa薄膜中的巡回磁矩和局域磁矩:实验和从头算理论

Itinerant and local magnetic moments in ferrimagnetic Mn2CoGa thin films probed by x-ray magnetic linear dichroism: experiment and ab initio theory

Markus Meinert, Jan-Michael Schmalhorst, Christoph Klewe, Günter Reiss, Elke Arenholz, Tim Böhnert, Kornelius Nielsch

摘要:

采用直流磁控共溅射法在MgO(001)衬底上制备了半金属Xa化合物Mn 2CoGa(Hg 2CuTi原型)外延薄膜。获得了体磁化强度为1.95(5)μ B/晶胞的高质量薄膜。L3,2 X射线磁性圆二色光谱与基于密度泛函理论(DFT)的计算结果一致,并揭示了两个不等价Mn矩的反平行排列. X射线磁性线性二向色性,在良好的协议与理论,以及,允许区分巡回和本地Mn时刻。基于非共线自旋密度泛函理论,我们发现两个Mn矩中的一个具有局域性,而另一个Mn矩和Co矩是巡游的。

英文摘要:

Epitaxial thin films of the half-metallic Xa-compound Mn2CoGa (Hg2CuTi prototype) were prepared by dc magnetron co-sputtering with different heat treatments on MgO (001) substrates. High-quality films with a bulk magnetization of 1.95(5)μ_B per unit cell were obtained. The L3,2 x-ray magnetic circular dichroism spectra agree with calculations based on density functional theory (DFT) and reveal the antiparallel alignment of the two inequivalent Mn moments. X-ray magnetic linear dichroism, in good agreement with theory as well, allows to distinguish between itinerant and local Mn moments. Based on non-collinear spin DFT it is shown that one of the two Mn moments has local character, whereas the other Mn moment and the Co moment are itinerant.

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