Atomic and electronic structures of the group-IV elements on Si(111)-(root 3x root 3) surface


Ozkaya S., Çakmak M. , Alkan B.

17th International Vacuum Congress/13th International Conference on Surface Science/International Conference on Nanoscience and Technology, Stockholm, İsveç, 2 - 06 Temmuz 2007, cilt.100 identifier identifier

  • Yayın Türü: Bildiri / Tam Metin Bildiri
  • Cilt numarası: 100
  • Doi Numarası: 10.1088/1742-6596/100/7/072025
  • Basıldığı Şehir: Stockholm
  • Basıldığı Ülke: İsveç

Özet

We have examined the Si(111) surface with 1/3 monolayer of group-IV elements within the abinitio density functional theory We have considered two possible threefold-c oordinated sites for the atom adsorption: (i) H-3 site (this site is directly above a fourth-layer Si atom and (ii) T-4 site (directly above a second-layer Si atom). For the atoms Ge, Sn, and Pb, the T-4 position always gives the most stable configuration, comparing with the H-3 site. The calculated energy difference between T-4 and H-3 for Pb, Ge, and Sn, is 0.32 eV, 0.59 eV, and 0.41eV, respectively. We have also presented electronic band structure and orbital character of the surface states of the Sn/Si(111)-(root 3x root 3)surface.