Modeling of the beta-SiC(001)(3x2) surface reconstruction.
APPLIED SURFACE SCIENCE.
(pp. 94 - 99).
ELSEVIER SCIENCE BV
We calculate the total energies, geometries and electronic structure for two competing models of the silicon-rich (3 x 2) reconstruction of the P-SiC(001) surface. In order to compare the energies, some value of the chemical potential of silicon atoms must be assumed. For most reasonable assumptions, we find that the Yan-Semond (YS) model is favoured. This model also gives a highest occupied surface state whose dispersion characteristics match photoemission experiments. (C) 2000 Elsevier Science B.V. All rights reserved.
|Title:||Modeling of the beta-SiC(001)(3x2) surface reconstruction|
|Event:||5th International Conference on Atomic Controlled Surfaces, Interfaces and Nanostructures (ACSIN 5)|
|Location:||UNIV AIX MARSEILLE, AIX PROVENCE, FRANCE|
|Dates:||1999-07-06 - 1999-07-09|
|Keywords:||silicon carbide (001) surface, local density functional theory, surface reconstruction, ENERGY ELECTRON-DIFFRACTION, BETA-SIC(100) SURFACE, STRUCTURAL-ANALYSIS, ATOMIC-STRUCTURE|
|UCL classification:||UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Chemistry
UCL > School of BEAMS > Faculty of Maths and Physical Sciences > Physics and Astronomy
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