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Monte Carlo study of oxidation of the 3C–SiC(0 0 1) 3 × 2 surface

Monte Carlo study of oxidation of the 3C–SiC(0 0 1) 3 × 2 surface,10.1016/j.apsusc.2008.01.079,Applied Surface Science,S. Owczarek,E. Wachowicz,A. Kie

Monte Carlo study of oxidation of the 3C–SiC(0 0 1) 3 × 2 surface  
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Oxygen atoms adsorption and oxidation of the Si-rich 3C–SiC(001) 3×2 surface was investigated using Monte Carlo simulations. The adatom interactions were described using a lattice-gas model with interaction energies determined by density functional theory calculations. Simulations were performed for oxygen coverages ranging from 5 to 30%. Oxygen adatom structures tend to form clusters on the surface which are similar to those seen in scanning tunneling microscopy.
Journal: Applied Surface Science - APPL SURF SCI , vol. 254, no. 14, pp. 4352-4356, 2008
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