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Noncollinear magnetism in freestanding and supported monatomic Mn chains

机译:独立和支撑单原子Mn链中的非共线磁性

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摘要

Using first-principles calculations, we study the occurrence of noncollinear magnetic order in monatomic Mn chains. First, we focus on freestanding Mn chains and demonstrate that they exhibit a pronounced noncollinear ground state in a large range of interatomic distances between atoms in the chain. By artificially varying the atomic number of Mn we investigate how the magnetic ground state is influenced by alloying the Mn chains with Fe and Cr. With increasing number of 3d electrons we find a smooth transition in the magnetic phase space starting from an antiferromagnetic state for pure Cr chains through a regime of noncollinear ground states for Mn-rich chains to a ferromagnetic solution approaching the limit of pure Fe chains. Second, we investigate the magnetism in supported Mn chains on the (110) surfaces of Cu, Pd, and Ag. We show that even a weak chain-surface hybridization is-sufficient to dramatically change the magnetic coupling in the chain. Nevertheless, while we observe that Mn chains are antiferromagnetic on Pd(110), a weak noncollinear magnetic order survives for Mn chains on Cu(110) and Ag(110) a few meV in energy below the antiferromagnetic solution. We explain the sensitive dependence of the exchange interaction in Mn chains on the interatomic distance, chemical composition, and their environment based on the competition between the ferromagnetic double exchange and the antiferromagnetic kinetic exchange mechanism. Finally, we perform simulations which predict that the noncollinear magnetic order of Mn chains on Cu(110) and Ag(110) could be experimentally verified by spin-polarized scanning tunneling microscopy.
机译:使用第一性原理计算,我们研究了单原子Mn链中非共线磁阶的发生。首先,我们关注于独立的Mn链,并证明它们在链中原子之间的大原子间距离范围内表现出明显的非共线基态。通过人为地改变Mn的原子数,我们研究了如何通过将Mn链与Fe和Cr合金化来影响磁性基态。随着3d电子数量的增加,我们发现磁相空间中的平滑过渡从纯Cr链的反铁磁态开始,到富Mn链的非共线基态态过渡到接近纯Fe链极限的铁磁溶液。其次,我们研究了Cu,Pd和Ag的(110)表面上支撑的Mn链中的磁性。我们表明,即使是弱链表面杂交也足以显着改变链中的磁耦合。尽管如此,尽管我们观察到Mn链在Pd(110)上是反铁磁性的,但弱的非共线磁性顺序对于Cu(110)和Ag(110)上的Mn链在反铁磁溶液以下的能量低几个meV仍然存在。我们基于铁磁双交换和反铁磁动力学交换机制之间的竞争,解释了锰链中交换相互作用对原子间距离,化学成分及其环境的敏感依赖性。最后,我们进行的模拟预测可以通过自旋极化扫描隧道显微镜实验验证在Cu(110)和Ag(110)上Mn链的非共线磁性顺序。

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  • 来源
    《Physical review》 |2011年第16期|p.165442.1-165442.12|共12页
  • 作者单位

    Institute of Applied Physics, University of Hamburg, D-20355 Hamburg, Germany;

    Peter Grunberg Institut and Institute for Advanced Simulation, Forschungszentrum Jiilich and JARA, D-52425 Jiilich, Germany;

    Institute of Theoretical Physics and Astrophysics, Christian-Albrechts-University of Kiel, D-24098 Kiel, Germany;

    Institute of Theoretical Physics and Astrophysics, Christian-Albrechts-University of Kiel, D-24098 Kiel, Germany;

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  • 正文语种 eng
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  • 关键词

    electron states at surfaces and interfaces; exchange interactions;

    机译:表面和界面的电子态;交换相互作用;

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