Journal
JOURNAL OF THE KOREAN PHYSICAL SOCIETY
Volume 53, Issue 6, Pages 3671-3674Publisher
KOREAN PHYSICAL SOC
DOI: 10.3938/jkps.53.3671
Keywords
Au overlayer; Si(111); Density-functional theory; Surface band structure
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Funding
- POSTECH BasicScience-Research Fund
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Based on density-functional theory calculations, we have examined the electronic structure of the conjugate honeycomb-chained-trimer model previously proposed for the Au/Si(111)-(root 3 x root 3)R30 degrees surface, For the optimized atomic structure, we calculate the surface band structure and simulate scanning-tunneling-microscopy (STM) images. The simulated STM images are compatible with the STM measurements, but the calculated surface band structure partly differs from angle-resolved photoelectron measurements. The present results indicate that a better model is required for the Au/Si(111)-(root 3 x root 3)R30 degrees surface.
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