Direct Observation of Charge Transfer at a MgO(111) Surface

A. Subramanian, L. D. Marks, O. Warschkow, and D. E. Ellis

Phys. Rev. Lett. 92, 026101 – Published 13 January 2004

Abstract

Transmission electron diffraction (TED) combined with direct methods have been used to study the $\sqrt{3} \times \sqrt{3} R 30 °$ 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.

Received 25 June 2003

DOI:https://doi.org/10.1103/PhysRevLett.92.026101

Authors & Affiliations

A. Subramanian^1,*, L. D. Marks¹, O. Warschkow², and D. E. Ellis²

¹Department of Materials Science and Engineering, Northwestern University, Evanston, Illinois 60208-3108, USA
²Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208-3108, USA

^*Author to whom correspondence may be addressed. Current address: 2220 Campus Dr., Cook Hall No. 2036, Evanston, IL 60208-3108, USA. Electronic address: arun@risc4.numis.nwu.edu

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Issue

Vol. 92, Iss. 2 — 16 January 2004

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