Physical properties of cubic SiC(001) surfaces from first-principles simulations

Galli G; Pizzagalli L; Catellani A; Gygi F; Baratoff A

Applied Surface Science, Vol.162, 1-8, 2000

DOI10.1016/S0169-4332(00)00162-8 Export Citation

Physical properties of cubic SiC(001) surfaces from first-principles simulations

Galli G, Pizzagalli L, Catellani A, Gygi F, Baratoff A

We report the results of first-principles molecular dynamics simulations of the physical properties of cubic SiC(001) surfaces. In particular, we discuss the atomic geometries of several reconstructions, including (2 x I), c(4 x 2) and (3 x 2), and compare computed STM images with recent experimental. results.

Keywords:silicon carbide;surface;reconstruction;ab-initio methods