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Room-Temperature Atomic Structure and Lattice Instability of In Nanowires on Si(111)

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Abstract

One-dimensional indium chains on Si(111) exhibit both temperature-and defect-induced perioddoubling (×2) structural transitions, and their natures have been focus of recent investigations. Using density functional perturbation theory calculations, we examined the vibrational properties of the room-temperature Si(111)In-4×1 structure. The phonon band structure revealed two unstable modes at the zone-boundary in the chain direction, which lead to a lattice instability towards a structure with parallel trimers. This lattice-instability-driven 4 × 2 structure is different from the low-temperature 4×2 (LT-4×2) structure (hexagon structure). The result suggests that the roomtemperature phase is neither a static 4×1 phase nor the dynamical fluctuation of the LT-4×2 phase. We demonstrate that the room-temperature phase is a dynamically fluctuating parallel-trimer 4×2 phase, and the fluctuations become suppressed near the defects to result in the defect-induced ×2 structure.

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Authors and Affiliations

  1. School of Electrical Engineering, Korea Advanced Institute of Science and Technology, Daejeon, 34141, Korea

    Yun Hee Chang

  2. Department of Physics, Inha University, Incheon, 22212, Korea

    Geunseop Lee

  3. Department of Physics, Sookmyung Women’s University, Seoul, 04310, Korea

    Hanchul Kim

Authors
  1. Yun Hee Chang
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  2. Geunseop Lee
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  3. Hanchul Kim
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Correspondence to Hanchul Kim.

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Chang, Y.H., Lee, G. & Kim, H. Room-Temperature Atomic Structure and Lattice Instability of In Nanowires on Si(111). Journal of the Korean Physical Society 72, 372–378 (2018). https://doi.org/10.3938/jkps.72.372

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  • DOI: https://doi.org/10.3938/jkps.72.372

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