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

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Title
Oxygen adsorbates on the Si(111) 4×1 -In metallic atomic wire: Scanning tunneling microscopy and density-functional theory calculations
Author(s)
Deok Mahn Oh; Wippermann S.; Schmidt W.G.; Han Woong Yeom
Publication Date
2014-10
Journal
PHYSICAL REVIEW B, v.90, no.15, pp.155432 -
Publisher
AMER PHYSICAL SOC
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.
URI
http://pr.ibs.re.kr/handle/8788114/1460
DOI
10.1103/PhysRevB.90.155432
ISSN
1098-0121
Appears in Collections:
Center for Artificial Low Dimensional Electronic Systems(원자제어 저차원 전자계 연구단) > Journal Papers (저널논문)
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