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Spin-correlations and magnetic structure in an Fe monolayer on 5d transition metal surfaces

机译:5d Fe单层中的自旋相关和磁结构   过渡金属表面

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摘要

We present a detailed first principles study on the magnetic structure of anFe monolayer on different surfaces of 5d transition metals. We use thespin-cluster expansion technique to obtain parameters of a spin model, andpredict the possible magnetic ground state of the studied systems by employingthe mean field approach and in certain cases by spin dynamics calculations. Wepoint out that the number of shells considered for the isotropic exchangeinteractions plays a crucial role in the determination of the magnetic groundstate. In the case of Ta substrate we demonstrate that the out-of-planerelaxation of the Fe monolayer causes a transition from ferromagnetic toantiferromagnetic ground state. We examine the relative magnitude of nearestneighbour Dzyaloshinskii-Moriya (D) and isotropic (J) exchange interactions inorder to get insight into the nature of magnetic pattern formations. For theFe/Os(0001) system we calculate a very large D/J ratio, correspondingly, a spinspiral ground state. We find that, mainly through the leading isotropicexchange and Dzyaloshinskii-Moriya interactions, the inward layer relaxationsubstantially influences the magnetic ordering of the Fe monolayer. For theFe/Re(0001) system characterized by large antiferromagnetic interactions wealso determine the chirality of the $120^{\circ}$ N\'eel-type ground state.
机译:我们提出了关于5d过渡金属不同表面上的Fe单层磁性结构的详细的第一原理研究。我们使用自旋簇扩展技术获得自旋模型的参数,并通过采用平均场方法以及在某些情况下通过自旋动力学计算来预测所研究系统的可能磁基态。我们指出,考虑各向同性交换相互作用的壳数在确定磁性基态中起着至关重要的作用。在Ta衬底的情况下,我们证明了Fe单层的面外弛豫会导致从铁磁对反铁磁基态跃迁。我们研究了最近邻Dzyaloshinskii-Moriya(D)和各向同性(J)交换相互作用的相对大小,以便深入了解磁模式形成的性质。对于Fe / Os(0001)系统,我们计算出非常大的D / J比,相应地是自旋螺旋基态。我们发现,主要通过主要的各向同性交换和Dzyaloshinskii-Moriya相互作用,向内层弛豫基本上影响了Fe单层的磁有序性。对于以大反铁磁相互作用为特征的Fe / Re(0001)系统,我们还确定了$ 120 ^ N $'el型基态的手性。

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