Low energy positrons at semiconductor surfaces

Fazleev, N. G.; Fry, J. L.; Weiss, A. H.
July 2001
AIP Conference Proceedings;2001, Vol. 576 Issue 1, p753
Academic Journal
Positron-annihilation-induced Auger spectra from the clean and exposed to hydrogen and oxygen Si(100)(2x1) surface are analyzed by performing calculations of positron states and annihilation characteristics. Positron surface and bulk states are calculated for different hydrogen and oxygen coverages by solving Schrödinger's equation numerically using the finite-difference method and taking into account discrete lattice effects and the charge redistribution at the surface. The reconstructed Si(100)-(2x1) surface is described within the Dimer-AdatomStacking fault model. Calculations performed for the clean Si surface show that the positron surface state wave function is localized mostly on the vacuum side of the topmost layer of Si atoms. When hydrogen or oxygen is absorbed on the Si surface the positron wave function is displaced away from substrate atoms. As a result of this displacement, the overlap of the positron wave function with Si core electrons and, consequently, the annihilation probability of Si core electrons reduce, in agreement with experimental data.


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