Reconstruction and thermal stability of the cubic SiC(001) surfaces

Details Reconstruction and thermal stability of the cubic SiC(001) surfaces Reconstruction and thermal stability of the cubic SiC(001) surfaces

1996-08-26

arxiv.org/abs/mtrl-th/9608007v1

Physics

Condensed Matter

Materials Science

12 pages, RevTeX, figures 1 and 2 available in gif form at http://irrmawww.epfl.ch/fg/sic/fig1.gif and http://irrmawww.epfl.

Scientific paper

10.1103/PhysRevLett.77.5090

The (001) surfaces of cubic SiC were investigated with ab-initio molecular dynamics simulations. We show that C-terminated surfaces can have different c(2x2) and p(2x1) reconstructions, depending on preparation conditions and thermal treatment, and we suggest experimental probes to identify the various reconstructed geometries. Furthermore we show that Si-terminated surfaces exhibit a p(2x1) reconstruction at T=0, whereas above room temperature they oscillate between a dimer row and an ideal geometry below 500 K, and sample several patterns including a c(4x2) above 500 K.

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