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Band engineering of the Si(001):H surface by doping with P and B atoms

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Abstract
Si(001):H surfaces doped with phosphorus (P) and with boron (B) were explored as conducting contact pads for a dangling bond (DB) wire. Heavily doped Si(001): H surface patches are proposed as an alternative to metallic nano-islands or as an intermediate scale between the DB wire and the metallic islands to precisely contact a DB wire. Our calculations show that patches of B dopants incorporated in Si(001): H surface introduce states in the surface band gap with a significant dispersion along the dimer rows and which overlap well with the DB wire band states, demonstrating the possibility of using patches a B-doped Si(001): H as viable and robust contact pads for DB wires.
Keywords
INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, WAVE BASIS-SET, METALS

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MLA
Kawai, Hiroyo, et al. “Band Engineering of the Si(001):H Surface by Doping with P and B Atoms.” ON-SURFACE ATOMIC WIRES AND LOGIC GATES, edited by M. Kolmer and C. Joachim, Springer International Publishing, 2017, pp. 95–104, doi:10.1007/978-3-319-51847-3_6.
APA
Kawai, H., Goh, K. E. J., Saeys, M., & Joachim, C. (2017). Band engineering of the Si(001):H surface by doping with P and B atoms. In M. Kolmer & C. Joachim (Eds.), ON-SURFACE ATOMIC WIRES AND LOGIC GATES (pp. 95–104). https://doi.org/10.1007/978-3-319-51847-3_6
Chicago author-date
Kawai, Hiroyo, Kuan Eng Johnson Goh, Mark Saeys, and Christian Joachim. 2017. “Band Engineering of the Si(001):H Surface by Doping with P and B Atoms.” In ON-SURFACE ATOMIC WIRES AND LOGIC GATES, edited by M. Kolmer and C. Joachim, 95–104. Springer International Publishing. https://doi.org/10.1007/978-3-319-51847-3_6.
Chicago author-date (all authors)
Kawai, Hiroyo, Kuan Eng Johnson Goh, Mark Saeys, and Christian Joachim. 2017. “Band Engineering of the Si(001):H Surface by Doping with P and B Atoms.” In ON-SURFACE ATOMIC WIRES AND LOGIC GATES, ed by. M. Kolmer and C. Joachim, 95–104. Springer International Publishing. doi:10.1007/978-3-319-51847-3_6.
Vancouver
1.
Kawai H, Goh KEJ, Saeys M, Joachim C. Band engineering of the Si(001):H surface by doping with P and B atoms. In: Kolmer M, Joachim C, editors. ON-SURFACE ATOMIC WIRES AND LOGIC GATES. Springer International Publishing; 2017. p. 95–104.
IEEE
[1]
H. Kawai, K. E. J. Goh, M. Saeys, and C. Joachim, “Band engineering of the Si(001):H surface by doping with P and B atoms,” in ON-SURFACE ATOMIC WIRES AND LOGIC GATES, Krakow, POLAND, 2017, pp. 95–104.
@inproceedings{8533982,
  abstract     = {{Si(001):H surfaces doped with phosphorus (P) and with boron (B) were explored as conducting contact pads for a dangling bond (DB) wire. Heavily doped Si(001): H surface patches are proposed as an alternative to metallic nano-islands or as an intermediate scale between the DB wire and the metallic islands to precisely contact a DB wire. Our calculations show that patches of B dopants incorporated in Si(001): H surface introduce states in the surface band gap with a significant dispersion along the dimer rows and which overlap well with the DB wire band states, demonstrating the possibility of using patches a B-doped Si(001): H as viable and robust contact pads for DB wires.}},
  author       = {{Kawai, Hiroyo and Goh, Kuan Eng Johnson and Saeys, Mark and Joachim, Christian}},
  booktitle    = {{ON-SURFACE ATOMIC WIRES AND LOGIC GATES}},
  editor       = {{Kolmer, M. and Joachim, C.}},
  isbn         = {{9783319518466}},
  issn         = {{2193-9691}},
  keywords     = {{INITIO MOLECULAR-DYNAMICS,TOTAL-ENERGY CALCULATIONS,WAVE BASIS-SET,METALS}},
  language     = {{eng}},
  location     = {{Krakow, POLAND}},
  pages        = {{95--104}},
  publisher    = {{Springer International Publishing}},
  title        = {{Band engineering of the Si(001):H surface by doping with P and B atoms}},
  url          = {{http://doi.org/10.1007/978-3-319-51847-3_6}},
  year         = {{2017}},
}

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