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Bi trimers and self-limiting Bi-Sb interface formation upon Bi deposition on InSb(111)B surfaces

Yadav, Rohit LU orcid ; Maciel, Renan Da Paixao ; Benter, Sandra LU ; Ong, Chin Shen ; Eriksson, Olle ; Mikkelsen, Anders LU and Timm, Rainer LU orcid (2025) In Surfaces and Interfaces 73.
Abstract
Investigating metal-semiconductor interfaces is crucial for enabling ultra-thin film growth and tuning the electronic properties. Here we have studied the atomic mechanism of Bi incorporation into the surface of InSb, the III-V semiconductor with the largest spin-orbit coupling, using surface science techniques and theoretical modeling. Bi deposition onto Sb-terminated InSb(111) surfaces at elevated sample temperature results in the formation of Bi monomers (-Bi) and Bi trimers (-Bi), in a (2 × 2) and (3 × 3) superstructure, respectively. Ab initio calculations for various possible Bi-integration models confirm the atomic arrangement of -Bi and -Bi superstructures and their energetically favorable formation. Both structures are based on... (More)
Investigating metal-semiconductor interfaces is crucial for enabling ultra-thin film growth and tuning the electronic properties. Here we have studied the atomic mechanism of Bi incorporation into the surface of InSb, the III-V semiconductor with the largest spin-orbit coupling, using surface science techniques and theoretical modeling. Bi deposition onto Sb-terminated InSb(111) surfaces at elevated sample temperature results in the formation of Bi monomers (-Bi) and Bi trimers (-Bi), in a (2 × 2) and (3 × 3) superstructure, respectively. Ab initio calculations for various possible Bi-integration models confirm the atomic arrangement of -Bi and -Bi superstructures and their energetically favorable formation. Both structures are based on strong covalent Bi-Sb bonds. This Bi-Sb compound is robust and has self-limiting thickness, which does not increase upon prolonged Bi deposition. On the contrary, Bi deposition at room temperature results in metallic Bi islands and layers of increasing thickness. However, the above-mentioned Bi-Sb compound is found unchanged in thickness after additional Bi deposition at room temperature and subsequent annealing, indicating the presence of a well-defined Bi-Sb interface even between InSb substrates and thicker metallic Bi surface layers. Tunable Bi surface structures and the self-limiting formation of a robust Bi-Sb interface offer a promising pathway towards developing Bi/InSb-based devices that combine a very large spin-orbit interaction with a technologically well-developed semiconductor platform, featuring superior electronic and optoelectronic properties. (Less)
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author
; ; ; ; ; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Bismuth, ab initic calculations, STM imaging, XPS, structure
in
Surfaces and Interfaces
volume
73
article number
107589
pages
10 pages
publisher
Elsevier
ISSN
2468-0230
DOI
10.1016/j.surfin.2025.107589
language
English
LU publication?
yes
id
b182ca24-c8dc-433d-b11a-40d00c1da589
date added to LUP
2025-09-12 17:21:27
date last changed
2025-09-16 03:32:02
@article{b182ca24-c8dc-433d-b11a-40d00c1da589,
  abstract     = {{Investigating metal-semiconductor interfaces is crucial for enabling ultra-thin film growth and tuning the electronic properties. Here we have studied the atomic mechanism of Bi incorporation into the surface of InSb, the III-V semiconductor with the largest spin-orbit coupling, using surface science techniques and theoretical modeling. Bi deposition onto Sb-terminated InSb(111) surfaces at elevated sample temperature results in the formation of Bi monomers (-Bi) and Bi trimers (-Bi), in a (2 × 2) and (3 × 3) superstructure, respectively. Ab initio calculations for various possible Bi-integration models confirm the atomic arrangement of -Bi and -Bi superstructures and their energetically favorable formation. Both structures are based on strong covalent Bi-Sb bonds. This Bi-Sb compound is robust and has self-limiting thickness, which does not increase upon prolonged Bi deposition. On the contrary, Bi deposition at room temperature results in metallic Bi islands and layers of increasing thickness. However, the above-mentioned Bi-Sb compound is found unchanged in thickness after additional Bi deposition at room temperature and subsequent annealing, indicating the presence of a well-defined Bi-Sb interface even between InSb substrates and thicker metallic Bi surface layers. Tunable Bi surface structures and the self-limiting formation of a robust Bi-Sb interface offer a promising pathway towards developing Bi/InSb-based devices that combine a very large spin-orbit interaction with a technologically well-developed semiconductor platform, featuring superior electronic and optoelectronic properties.}},
  author       = {{Yadav, Rohit and Maciel, Renan Da Paixao and Benter, Sandra and Ong, Chin Shen and Eriksson, Olle and Mikkelsen, Anders and Timm, Rainer}},
  issn         = {{2468-0230}},
  keywords     = {{Bismuth; ab initic calculations; STM imaging; XPS; structure}},
  language     = {{eng}},
  month        = {{09}},
  publisher    = {{Elsevier}},
  series       = {{Surfaces and Interfaces}},
  title        = {{Bi trimers and self-limiting Bi-Sb interface formation upon Bi deposition on InSb(111)B surfaces}},
  url          = {{http://dx.doi.org/10.1016/j.surfin.2025.107589}},
  doi          = {{10.1016/j.surfin.2025.107589}},
  volume       = {{73}},
  year         = {{2025}},
}