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Free keywords:
stepped single crystal surfaces; iron oxide; surface-structure; LEED crystallography; FE3O4(111) films
Abstract:
The concepts of coordinative unsaturation and excess surface charge are used to predict which atomic geometries are likely to be most stable along step edges on metal-oxide single crystals. The specific case of steps on Fe3O4(111) is considered in detail, and two step structures are identified as having the lowest coordinative unsaturation and excess charge/step unit cell. This approach to step stability should be applicable to other crystal structures having both ionic and covalent components to their interatomic bonding.
