Oxygen adsorbates on the Si(111)4×1-In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations

Deok Mahn Oh, S. Wippermann, W. G. Schmidt, and Han Woong Yeom
Phys. Rev. B 90, 155432 – Published 20 October 2014

Abstract

The Si(111)4×1-In surface is composed of metallic atomic wires, which undergo a transition into a charge density wave phase at a transition temperature (Tc) of 125 K. This Tc was reported recently to substantially increase upon the oxygen adsorption, for which the underlying mechanism is not understood. We investigate the structures of oxygen adsorbates on the Si(111)4×1-In surface by scanning tunneling microscopy (STM) and density-functional theory calculations. We identify three distinct atomic-scale structures induced by the oxygen adsorption with high-resolution STM topography. The calculations find two energetically favorable adsorption sites on and between In zigzag chains, respectively. In conjunction with an additional adsorption configuration, where O is buried underneath the In chain, three stable structures are thus identified that reproduce very well the characteristic bias-dependent STM images. Experimentally, a switching between two specific adsorption structures is observed and is consistent with the structure models proposed. The structural distortions and the charge transfer of In atomic wires around the adsorbates are also characterized. This work provides a solid basis for the microscopic understanding of the intriguing oxygen impurity effect on the phase transition.

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  • Received 23 May 2014
  • Revised 23 August 2014

DOI:https://doi.org/10.1103/PhysRevB.90.155432

©2014 American Physical Society

Authors & Affiliations

Deok Mahn Oh1,2, S. Wippermann3, W. G. Schmidt4, and Han Woong Yeom1,2,*

  • 1Center for Artificial Low Dimensional Electronic Systems, Institute for Basic Science (IBS), Pohang 790-784, Korea
  • 2Department of Physics, Pohang University of Science and Technology, Pohang 790-784, Korea
  • 3Interface Chemistry and Surface Engineering Department, Max-Planck-Institute for Iron Research GmbH, Max-Planck-Straβe 1, 40237 Düsseldorf, Germany
  • 4Lehrstuhl für Theoretische Physik, Universität Paderborn, 33098 Paderborn, Germany

  • *To whom all correspondence should be addressed: yeom@postech.ac.kr

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Vol. 90, Iss. 15 — 15 October 2014

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