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Modeling of the beta-SiC(001)(3x2) surface reconstruction

Shevlin, SA; Fisher, AJ; (2000) Modeling of the beta-SiC(001)(3x2) surface reconstruction. In: APPLIED SURFACE SCIENCE. (pp. 94 - 99). ELSEVIER SCIENCE BV

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Abstract

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.

Type: Proceedings paper
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
URI: http://discovery.ucl.ac.uk/id/eprint/1300503
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