Atomic-scale self-organization of Fe nanostripes on stepped Cu(111) surfaces: Molecular dynamics and kinetic Monte Carlo simulations

N. N. Negulyaev; V. S. Stepanyuk; W. Hergert; P. Bruno; J. Kirschner

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Atomic-scale self-organization of Fe nanostripes on stepped Cu(111) surfaces: Molecular dynamics and kinetic Monte Carlo simulations

机译：Fe纳米带在阶梯状Cu（111）表面上的原子尺度自组织：分子动力学和动力学蒙特卡洛模拟

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Growth of Fe nanostripes on a vicinal Cu(111) surface is investigated on the atomic scale by performing molecular dynamics and kinetic Monte Carlo simulations. We involve in our study the kinetic mechanisms of atomic incorporation recently reported by Mo et al. [Phys. Rev. Lett. 94, 155503 (2005)]. The atomistic processes responsible for the interlayer mass transport and the formation of Fe stripes of 1 ML height are identified. We demonstrate that strain relaxations at steps have a strong impact on the self-assembly of one-dimensional Fe atomic structures on vicinal Cu(111).

机译：通过执行分子动力学和动力学蒙特卡洛模拟研究了在邻域Cu（111）表面上Fe纳米带的生长。我们参与了Mo等人最近报道的原子结合动力学机制。 [物理牧师94，155503（2005）]。确定了负责层间质量传输和形成1 ML高的Fe条的原子过程。我们证明了在步骤处的应变弛豫对邻域Cu（111）上的一维Fe原子结构的自组装有很大的影响。

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《Physical review》 |2008年第8期|864-872|共9页
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N. N. Negulyaev; V. S. Stepanyuk; W. Hergert; P. Bruno; J. Kirschner;
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Atomic-scale self-organization of Fe nanostripes on stepped Cu(111) surfaces: Molecular dynamics and kinetic Monte Carlo simulations

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