Abstract
In this paper, we investigate the method of kinematic low energy electron diffraction (KLEED) and constant momentum transfer averaging (CMTA). Through a thorough review, we point out that the method has great potential in surface structure determination although it had not been used properly in che past years. This method has been improved greatly in the present work. Firstly, with our own experiment, we demonstrate that the effect of multiple scattering can be eliminated in large part by averaging only a few I-S curves taken with different suitably selected diffraction geometry. Secondly, we show that in KLEED calculation, the constant scattering factor approximation is quite convenient and reasonable for surfaces consisting of same kind of atoms. Thirdly, this work introduces a peak broadening factor to reflect the thermal effect upon the I-V curves which had been neglected in some KLEED calculations. Finally, nonstructural parameters, such as inner potential, mean free path, peak broadening factor and attenuation factor, are optimized to give the best agreement between the calculated and experiment results. Application on Cu(001)1×1 surface indicates that the improved KLEED/CMTA method for surface analyses is simple, reliable and powerful.
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