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STM and DFT study on formation and characterization of Ba-incorporated phases on a Ge(001) surface

机译：STM和DFT研究Ge（001）表面上Ba掺入相的形成和表征

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摘要

We characterize the incorporation of Ba adatoms into the Ge(001) surface, resulting in the formation of one-dimensional structures with an internal 2×3 periodicity, after the deposition of Ba atoms at 970 K or at room temperature followed by a 770 K anneal. Scanning tunneling microscopy (STM) data were compared with theoretically simulated STM images generated by density functional theory electronic structure calculations. Excellent agreement between experiment and simulation was found when using an adopted structural model that assumes partial removal of the surface Ge dimers in the [1-10] surface direction and subsequent addition of a single Ba atom to the substrate second layer. Structural assignments for a number of defects observed within regions of the 2 × 3 reconstruction were also obtained.
机译：我们表征了Ba原子在Ge（001）表面的掺入，导致在970 K或室温下随后在770 K下沉积Ba原子后形成具有内部2×3周期性的一维结构。退火。将扫描隧道显微镜（STM）数据与通过密度泛函理论电子结构计算生成的理论模拟STM图像进行比较。当使用采用的结构模型时，在实验和模拟之间发现了极好的一致性，该结构模型假设在[1-10]表面方向上部分去除了表面Ge二聚体，随后向衬底第二层中添加了一个Ba原子。还获得了在2×3重建区域内观察到的许多缺陷的结构分配。

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  • 来源
    《Physical review》 |2016年第19期|195304.1-195304.7|共7页
  • 作者

    W. Koczorowski; A. Puchalska; T. Grzela; L. Jurczyszyn; S. R. Schofield; R. Czajka; N. J. Curson; M. W. Radny;

  • 作者单位

    Institute of Physics, Poznan University of Technology, ul. Piotrowo 3, 60-965 Poznan, Poland;

    Institute of Experimental Physics, University of Wroclaw, pl. Maksa Borna 9, 50-204 Wroclaw, Poland;

    Institute of Physics, Poznan University of Technology, ul. Piotrowo 3, 60-965 Poznan, Poland;

    Institute of Experimental Physics, University of Wroclaw, pl. Maksa Borna 9, 50-204 Wroclaw, Poland;

    London Centre for Nanotechnology, UCL, 17-19 Gordon Street, London, United Kingdom,Department of Physics and Astronomy, UCL, London, WC1E 6BT, United Kingdom;

    Institute of Physics, Poznan University of Technology, ul. Piotrowo 3, 60-965 Poznan, Poland;

    London Centre for Nanotechnology, UCL, 17-19 Gordon Street, London, United Kingdom,Department of Electronic and Electrical Engineering, UCL, London, WC1E 7JE, United Kingdom;

    Institute of Physics, Poznan University of Technology, ul. Piotrowo 3, 60-965 Poznan, Poland,School of Mathematical and Physical Sciences, The University of Newcastle, Newcastle, Callaghan 2308, Australia;

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