Atomic and electronic structures of the group-IV elements on Si(111)-(root 3x root 3) surface
Yükleniyor...
Tarih
2008
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Publishing Ltd
Erişim Hakkı
info:eu-repo/semantics/openAccess
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.
Açıklama
17th International Vacuum Congress/13th International Conference on Surface Science/International Conference on Nanoscience and Technology -- JUL 02-06, 2007 -- Stockholm, SWEDEN
WOS:000275655200255
WOS:000275655200255
Anahtar Kelimeler
Kaynak
Proceedings Of The 17th International Vacuum Congress/13th International Conference on Surface Science/İnternational Conference on Nanoscience and Technology
WoS Q Değeri
N/A
Scopus Q Değeri
Q3
Cilt
100
