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Computer study of boron and phosphorus at the Si(100)̶2 ╳ 1 surface

Author

Listed:
  • V.G. Zavodinsky
  • I.A. Kuyanov
  • E.N. Chukurov

Abstract

The AM1 semiempirical numerical method combined with the geometry optimization procedure was used to study the energetics of active impurities (B, P) in substitutional positions at the Si(100)-2╳1 surface. It has been found that phosphorus prefers to be in the first layer (in dimers). Boron has the lowest energy in the second layer. Energy profits, counting from the fourth bulk-like layer, for B and P are 1.33 eV and 0.56 eV, respectively. Comparing of the P-Si and P-P dimers energetics has shown that P-Si dimers are more preferable energetically. Copyright EDP Sciences, Springer-Verlag 1998

Suggested Citation

  • V.G. Zavodinsky & I.A. Kuyanov & E.N. Chukurov, 1998. "Computer study of boron and phosphorus at the Si(100)̶2 ╳ 1 surface," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 6(2), pages 273-276, November.
    • Handle: RePEc:spr:eurphb:v:6:y:1998:i:2:p:273-276:10.1007/s100510050549
    DOI: 10.1007/s100510050549
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