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Atomic superlattice formation mechanism revealed by scanning tunneling microscopy and kinetic Monte Carlo simulations

机译:扫描隧道显微镜和动力学蒙特卡洛模拟揭示了原子超晶格形成机理

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摘要

We study the interaction of single Fe atoms on Cu(111) and Ag(111) substrates with low-temperature scanning tunneling microscopy and kinetic Monte Carlo simulations. In Fe/Cu(111), a self-assembled hexagonal quasisuperlattice with perturbation of around 20% dimers/clusters is obtained. In Fe/Ag(111), however, a disorderlike structure is found even though long-range interactions among atoms are observed. In combination with kinetic Monte Carlo simulations, possible mechanisms of the superstructure formation are discussed. We find that two parameters, I.e., the ratio of adatom interaction energy (the depth of the first energy minimum) to diffusion barrier and the square of the repulsive ring radius versus the superstructure lattice constant, play important roles for superstructure formation.
机译:我们用低温扫描隧道显微镜和动力学蒙特卡洛模拟研究Cu(111)和Ag(111)衬底上的单个Fe原子的相互作用。在Fe / Cu(111)中,获得了具有约20%二聚体/团簇扰动的自组装六角形准超晶格。但是,在Fe / Ag(111)中,即使观察到原子之间的长距离相互作用,也发现了无序结构。结合动力学蒙特卡洛模拟,讨论了上部结构形成的可能机理。我们发现两个参数,即吸附原子相互作用能(第一能量最小值的深度)与扩散势垒之比以及排斥环半径与上层结构晶格常数的平方,对上层结构的形成起着重要作用。

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  • 来源
    《Physical review》 |2010年第12期|p.125438.1-125438.7|共7页
  • 作者单位

    Nanjing National Laboratory of Microstructures and Department of Physics, Nanjing University, 22 Hankou Rd., Nanjing 210093, China Max-Planck-Institute of Micro structure Physics, Weinberg 2, 06120 Halle, Germany;

    rnNanjing National Laboratory of Microstructures and Department of Physics, Nanjing University, 22 Hankou Rd., Nanjing 210093, China;

    rnNanjing National Laboratory of Microstructures and Department of Physics, Nanjing University, 22 Hankou Rd., Nanjing 210093, China;

    rnMax-Planck-Institute of Micro structure Physics, Weinberg 2, 06120 Halle, Germany;

    rnNanjing National Laboratory of Microstructures and Department of Physics, Nanjing University, 22 Hankou Rd., Nanjing 210093, China;

    rnNanjing National Laboratory of Microstructures and Department of Physics, Nanjing University, 22 Hankou Rd., Nanjing 210093, China;

    rnMax-Planck-Institute of Micro structure Physics, Weinberg 2, 06120 Halle, Germany;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    scanning tunneling microscopy (including chemistry induced with STM); self-organized systems;

    机译:扫描隧道显微镜(包括用STM诱导的化学反应);自组织系统;

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