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Structure of the ( radical 3 times radical 3 ) R 30 degree Ag/Si(111) surface from first-principles calculations

Journal Article · · Physical Review Letters; (United States)
; ;  [1]
  1. Ames Laboratory US Department of Energy and Department of Physics, Iowa State University, Ames, Iowa (USA)
The structure of ({radical}3 {times} {radical}3 ) Ag/Si(111) is investigated using first-principles total-energy calculations. The lowest-energy configuration consists of a top layer of Ag atoms arranged as honeycomb chained trimers'' lying above a distorted missing top layer'' Si(111) substrate. We find that the honeycomb structure observed in scanning-tunneling-microscope images arises from the electronic charge density on an empty surface band near the Fermi level.
DOE Contract Number:
W-7405-ENG-82
OSTI ID:
5177054
Journal Information:
Physical Review Letters; (United States), Journal Name: Physical Review Letters; (United States) Vol. 67:11; ISSN PRLTA; ISSN 0031-9007
Country of Publication:
United States
Language:
English