Phys. Rev. Lett. 81, 2292–2295 (1998)Missing-Row Asymmetric-Dimer Reconstruction of SiC(001)-c(4×2)Received 8 April 1998; published in the issue dated 14 September 1998 A new reconstruction model for the cubic SiC(001)-c(4×2) surface is suggested on the basis of ab initio pseudopotential total energy and grand canonical potential calculations. Our results clearly favor an adatom structure with half a monolayer of Si atoms adsorbed at the Si-terminated surface. The adatoms form a missing-row reconstruction with strong asymmetric dimers whose bond length is 2.3 Å. The model exhibits a semiconducting surface and it is in good accord with recent experimental data. The previously suggested alternatively up- and down-dimer model turns out to be neither a stable nor a metastable structure. © 1998 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.81.2292
DOI:
10.1103/PhysRevLett.81.2292
PACS:
68.35.Bs, 73.20.At
See AlsoComment: P. Soukiassian, V. Aristov, L. Douillard, F. Semond, A. Mayne, G. Dujardin, L. Pizzagalli, C. Joachim, B. Delley, and E. Wimmer, Comment on “Missing-Row Asymmetric-Dimer Reconstruction of SiC(100)- c(4×2)”, Phys. Rev. Lett. 82, 3721 (1999). Reply: Wenchang Lu, Peter Krüger, and Johannes Pollmann, Lu, Krüger, and Pollmann Reply:, Phys. Rev. Lett. 82, 3722 (1999). |
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