LINEAR LOW-ENERGY POSITRON DIFFRACTION (LLEPD) FOR THE Si(111)-(2×1) π-CHAIN MODEL

S. Y. Tong
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S. Y. Tong: Department of Physics and Laboratory for Surface Studies, University of Wisconsin-Milwaukee, Milwaukee, WI 53201, USA

Surface Review and Letters (SRL), 2000, vol. 07, issue 01n02, 21-24

Abstract: We have applied the linear method to low-energy positron diffraction and low-energy electron diffraction. The linear method searches for the global minimum in a structural analysis by carrying out full dynamical calculations at atomic positions which scale linearly as the number of independent structural parameters and variations in each parameter. For the Si(111)-(2×1) π-chain system, linear low-energy electron diffraction (LLEED) is found to work adequately. However, in other systems tested, LLEED breaks down when atoms in the first and second layers are lined up along the incident-beam direction. On the other hand, the method of linear low-energy positron diffraction (LLEPD) is found to work extremely well in all systems tested. This is due to the absence of forward focusing in low-energy positron diffraction. Thus, LLEPD should be an excellent tool for locating the global minimum in complex surface-structural searches.

Date: 2000
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DOI: 10.1142/S0218625X00000051

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