Angular distributions of H-induced HD and D2 desorptions from the Si(100) surfaces

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We measured angular distributions of HD and D2 molecules desorbed via the reactions H+D/Si 100 →H+D/Si(100) → HD [abstraction (ABS)] and H+D/Si(100) →D2 [adsorption-induced-desorption (AID)], respectively. It was found that the angular distribution of HD molecules desorbed along ABS is broader than that of D2 molecules desorbed along AID, i.e., the former could be fit withcos2.0±0.2 θ, while the latter with cos5.0±0.5 θ. This difference of the angular distributions between the two reaction paths suggests that their dynamic mechanisms are different. The observed cos2 θ distribution for the ABS reaction was reproduced by the classical trajectory calculations over the London-Eyring-Polanyi-Sato potential-energy surfaces. The simulation suggests that the HD desorption along the ABS path takes place along the direction of Si–D bonds, but the apparent angular distribution is comprised of multiple components reflecting the different orientations of D-occupied Si dimers in the (2×1) and (1×2) double domain structures.

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