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Adatoms and Clusters of 3d Transition Metals on Graphene: Electronic and Magnetic Configurations

机译:石墨烯上的3d过渡金属的吸附原子和簇:电子和磁性构型

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摘要

We investigate the electronic and magnetic properties of single Fe, Co, and Ni atoms and clusters on monolayer graphene (MLG) on SiC(0001) by means of scanning tunneling microscopy (STM), x-ray absorption spectroscopy, x-ray magnetic circular dichroism (XMCD), and ab initio calculations. STM reveals different adsorption sites for Ni and Co adatoms. XMCD proves Fe and Co adatoms to be paramagnetic and to exhibit an out-of-plane easy axis in agreement with theory. In contrast, we experimentally find a nonmagnetic ground state for Ni monomers while an increasing cluster size leads to sizeable magnetic moments. These observations are well reproduced by our calculations and reveal the importance of hybridization effects and intra-atomic charge transfer for the properties of adatoms and clusters on MLG.
机译:我们通过扫描隧道显微镜(STM),X射线吸收光谱法,X射线磁圆法研究了SiC(0001)上单层石墨烯(MLG)上单个Fe,Co和Ni原子和簇的电子和磁性性质二向色性(XMCD)和从头算。 STM揭示了Ni和Co吸附原子的不同吸附位点。 XMCD证明Fe和Co原子是顺磁性的,并且与理论相符,显示出平面外易轴。相反,我们实验性地发现了Ni单体的非磁性基态,而簇尺寸的增加导致了较大的磁矩。我们的计算很好地再现了这些观察结果,并揭示了杂交效应和原子内电荷转移对于MLG上的原子和团簇性质的重要性。

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  • 来源
    《Physical review letters 》 |2013年第13期| 136804.1-136804.5| 共5页
  • 作者单位

    Institute of Applied Physics, University of Hamburg, Jungiusstrasse 11, D-20355 Hamburg, Germany;

    Institute of Applied Physics, University of Hamburg, Jungiusstrasse 11, D-20355 Hamburg, Germany;

    European Synchrotron Radiation Facility, BP 220, F-38043 Grenoble, France,Diamond Light Source, Rutherford Appleton Laboratory, Didcot 0X11 0QX, United Kingdom;

    Institute of Applied Physics, University of Hamburg, Jungiusstrasse 11, D-20355 Hamburg, Germany;

    1st Institute of Theoretical Physics, University of Hamburg, Jungiusstrasse 9, D-20355 Hamburg, Germany;

    Institut fuer Theoretische Physik, Universitaet Bremen, Otto-Hahn-Allee 1, D-28359 Bremen, Germany,Bremen Center for Computational Materials Science, Am Fallturm la, D-28359 Bremen, Germany;

    Max Planck Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart, Germany;

    Max Planck Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart, Germany;

    Helmholtz-Zentrum Berlin, Albert-Einstein-Strasse 15, D-12489 Berlin, Germany;

    1st Institute of Theoretical Physics, University of Hamburg, Jungiusstrasse 9, D-20355 Hamburg, Germany;

    Institute of Applied Physics, University of Hamburg, Jungiusstrasse 11, D-20355 Hamburg, Germany;

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  • 正文语种 eng
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  • 关键词

    impurity and defect levels; energy states of adsorbed species; density functional theory, local density approximation, gradient and other corrections; X-ray absorption spectra;

    机译:杂质和缺陷水平;吸附物质的能量状态;密度泛函理论;局部密度近似;梯度和其他校正;X射线吸收光谱;

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