Theoretical investigation of the Au/Si(111)-(5 x 2) surface structure
SCIE
SCOPUS
- Title
- Theoretical investigation of the Au/Si(111)-(5 x 2) surface structure
- Authors
- Kang, MH; Lee, JY
- Date Issued
- 2003-05-10
- Publisher
- ELSEVIER SCIENCE BV
- Abstract
- The atomic structure of the Au/Si(1 1 1)-(5 x 2) surface has been studied by density-functional theory calculations. Two structure models, proposed experimentally by Marks et al. and Hasegawa et al., have been examined on an equal ground. In our total-energy calculations, both models are found to be locally stable and energetically comparable. In our electronic-structure analyses, however, both models fail to reproduce the key features of angle-resolved photo-emission spectra and scanning-tunneling-microscopy images, indicating that the considered models need to be modified. Suggestions for the modification are given based on the present calculations. (C) 2003 Elsevier Science B.V. All rights reserved.
- Keywords
- density functional calculations; surface structure, morphology, roughness, and topography; metal-semiconductor interfaces; gold; silicon; GENERALIZED GRADIENT APPROXIMATION; INDUCED 5X2 RECONSTRUCTION; ELECTRON-MICROSCOPY; AU; SI(111); GOLD; PSEUDOPOTENTIALS; SI(111)-(5X2)-AU; DIFFRACTION; ADSORPTION
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/18552
- DOI
- 10.1016/S0039-6028(03)00508-9
- ISSN
- 0039-6028
- Article Type
- Article
- Citation
- SURFACE SCIENCE, vol. 531, no. 1, page. 1 - 7, 2003-05-10
- Files in This Item:
- There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.