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Iron oxides are among the most abundant compounds on Earth and haveconsequently been studied and used extensively in industrial processes. Despitethese efforts, concrete understanding of some of their surface phase structureshas remained elusive, in particular the oxidized ${\alpha}-Fe_2O_3(0001)$hematite surface. We detail an optimized recipe to produce this phase over theentire hematite surface and study the geometrical parameters and composition ofits complex structure by means of atomically resolved microscopy, electrondiffraction and surface-sensitive spectroscopies. We conclude that the oxidized${\alpha}-Fe_2O_3(0001)$ surface is terminated by a two-dimensional iron oxidewith structure, lattice parameters, and orientation different from the bulksubstrate. Using total-energy density functional theory for simulation of alarge-scale atomic model, we identify the structure of the surface layer asantiferromagnetic, conductive $1T-FeO_2$ attached on half-metal terminatedbulk. The model succeeds in reproducing the characteristic modulations observedin the atomically resolved images and electron diffraction patterns.

Identification of two-dimensional $FeO_2$ termination of hematite ${\alpha}-Fe_2O_3(0001)$ surface