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Direct observation of charge transfer at a MgO(111) surface
A Subramanian1, L D Marks, O Warschkow
1Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208-3108, USA.
Physical Review Letters
|February 3, 2004
Abstract:
Transmission electron diffraction (TED) combined with direct methods have been used to study the sqrt[3]xsqrt[3]R30 degrees reconstruction on the polar (111) surface of MgO and refine the valence charge distribution. The surface is nonstoichiometric and is terminated by a single magnesium atom. A charge-compensating electron hole is localized in the next oxygen layer and there is a nominal charge transfer from the oxygen atoms to the top magnesium atom. The partial charges that we obtain for the surface atoms are in reasonable agreement with empirical bond-valence estimations.