Please use this identifier to cite or link to this item: https://doi.org/10.1142/S0217979202010051
Title: Adsorption and diffusion of Si on the Si(001): An empirical potential calculation
Authors: Cai, J. 
Wang, J.-S. 
Keywords: Adsorption
Diffusion
Si and empirical potential
Issue Date: 10-Feb-2002
Source: Cai, J., Wang, J.-S. (2002-02-10). Adsorption and diffusion of Si on the Si(001): An empirical potential calculation. International Journal of Modern Physics B 16 (4) : 621-629. ScholarBank@NUS Repository. https://doi.org/10.1142/S0217979202010051
Abstract: A recently developed potential function for covalent materials (Phys. Stat. Sol. B212, 9 (1999)) is used to simulate the surface adsorption, and diffusion of Si adtom and ad-dimer on the Si(001) surface. We calculate the formation energies and diffusion activation energies of several possible binding sites. The predicted stable and metastable configurations and diffusion paths of Si ad-atom and Si ad-dimer on Si(001)-(2 x 1) surface are in agreement with that from the first principle calculations or experiments.
Source Title: International Journal of Modern Physics B
URI: http://scholarbank.nus.edu.sg/handle/10635/114295
ISSN: 02179792
DOI: 10.1142/S0217979202010051
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