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• W2010117390 abstract "Using spin-density functional theory we investigated various possible structures of the hematite (0001) surface. Depending on the ambient oxygen partial pressure, two geometries are found to be particularly stable under thermal equilibrium: one being terminated by iron and the other by oxygen. Both exhibit huge surface relaxations ( $ensuremath{-}57%$ for the Fe and $ensuremath{-}79%$ for the O termination) with important consequences for the surface electronic and magnetic properties. With scanning tunneling microscopy we observe two different surface terminations coexisting on single crystalline $ensuremath{alpha}$- ${mathrm{Fe}}_{2}{mathrm{O}}_{3}$ (0001) films, which were prepared in high oxygen pressures." @default.
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• W2010117390 date "1998-08-01" @default.
• W2010117390 modified "2023-09-30" @default.
• W2010117390 title "The Hematite ( α- Fe2O3) (0001) Surface: Evidence for Domains of Distinct Chemistry" @default.
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• W2010117390 doi "https://doi.org/10.1103/physrevlett.81.1038" @default.
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