Approach to structure determination of compound semiconductor surfaces by kinematical LEED calculations: GaAs(110) and ZnSe(110)

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Abstract
Because of the expense of dynamical low-energy electron diffraction (LEED) computational analyses, a more economical approach to the comparison between measured and computed LEED intensity profiles of nonpolar compound semiconductor surfaces consists of determining an initial estimate of surface atomic position coordinates via comparison of experimental data with kinematical calculations. Once an acceptable region of position parameter space has been identified, further refinements can be obtained by dynamical LEED analyses. This paper presents the results of the kinematical portion of such an analysis applied to GaAs(110) and ZnSe(110) surfaces. It is found that both materials exhibit similar surface atomic rearrangements characterized by bond length distortions and vertical displacements of the two sublattices in the uppermost atomic layer. These rearrangements differ from the ’’rotated’’ rearrangement reported earlier for GaAs(110) principally in that the structures identified herein involve small changes in bond lengths.

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