GaAs(001)表面における塩素分子の動的振舞いの解析

概要

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Abstract Dynamical behaviors of Cl2, on GaAs(OO1) surface were studied by a newly developed trajectory simulation. A 256-atom six-layer slab of GaAs Surface, with periodic boundary conditions in two dimensions, is employed in the calculation. The simulations described the experimental result and provided some important insights into the energy exchange process at surface scattering, trapping/desorption process, and angle-resolved patterns of scattered Cl2 molecule on GaAs surface.