Electronic Structure of the Conjugate Honeycomb-Chained-Trimer Model for the Au/Si(111)-(root 3 x root 3)R30 degrees Surface
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- Title
- Electronic Structure of the Conjugate Honeycomb-Chained-Trimer Model for the Au/Si(111)-(root 3 x root 3)R30 degrees Surface
- Authors
- Lee, JY; Kang, MH
- Date Issued
- 2008-12
- Publisher
- KOREAN PHYSICAL SOC
- Abstract
- 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.
- Keywords
- Au overlayer; Si(111); Density-functional theory; Surface band structure; SCANNING-TUNNELING-MICROSCOPY; AU-INDUCED RECONSTRUCTIONS; STATE BAND-STRUCTURE; PHASE-TRANSITIONS; SI(111) SURFACE; ION-SCATTERING; SQUARE-ROOT-3; OVERLAYERS; GOLD
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/29174
- ISSN
- 0374-4884
- Article Type
- Article
- Citation
- JOURNAL OF THE KOREAN PHYSICAL SOCIETY, vol. 53, no. 6, page. 3671 - 3674, 2008-12
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