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)
- 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
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Related Subjects
656002* -- Condensed Matter Physics-- General Techniques in Condensed Matter-- (1987-)
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADSORPTION
DATA
ELEMENTS
HONEYCOMB STRUCTURES
INFORMATION
MECHANICAL STRUCTURES
METALS
NUMERICAL DATA
SEMIMETALS
SILICON
SILVER
SORPTION
SORPTIVE PROPERTIES
SURFACE PROPERTIES
THEORETICAL DATA
TRANSITION ELEMENTS
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADSORPTION
DATA
ELEMENTS
HONEYCOMB STRUCTURES
INFORMATION
MECHANICAL STRUCTURES
METALS
NUMERICAL DATA
SEMIMETALS
SILICON
SILVER
SORPTION
SORPTIVE PROPERTIES
SURFACE PROPERTIES
THEORETICAL DATA
TRANSITION ELEMENTS