A Model Calculation of Step-Flow Growth on Single-Layer Stepped Diamond (001) Surface
نویسندگان
چکیده
Step-flow growths of diamond on single-layer steps of hydrogenated diamond (001) surface have been investigated using the semiempirical molecular orbital method PM5. The chemical reactions at the first stage of growth have been calculated as a function of the charges biased to the substrates. When the frontier orbits of a pair of surface hydrogen atoms of step edge by negative charge 2 interact effectively with frontier orbits of hydrogen gases, the pair of surface hydrogen atoms is abstracted by two hydrogen gases. A dimer C2 is bonded onto the pair of vacant hydrogen sites by the chemisorption. The step-flow growth of the dimer rows seem to be proceeded by C2 under the influence of a pulsed charge (-2 and 0) biased to the single-layer stepped (001) surface.
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