An iterative method for retrieval of structural parameters of surfaces with two relaxed overlayers
S Mukhopadhyay; T K Ballabh; S Mukhopadhyay; Condensed Matter Physics Research Centre, Department of Physics, Jadavpur University, Calcutta-700 032, India; T K Ballabh; Condensed Matter Physics Research Centre, Department of Physics, Jadavpur University, Calcutta-700 032, India
Журнал:
Journal of Physics: Condensed Matter
Дата:
1999-05-03
Аннотация:
In this work we have proposed an iterative method for direct determination of relaxation parameters from low-energy electron diffraction (LEED) intensity patterns. The algorithm is based on the layer-doubling method. It is shown that, with some realistic constraints, the relaxation parameter for a single relaxed structure can be obtained, and this solution can be utilized to determine the two-layer relaxed structure iteratively. With simulated intensity patterns for a one-dimensional model, the method is found to work well.
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