title: Ferryl (Fe=O) termination of the hematite alpha-Fe2O3(0001) surface.
abstract: Using scanning tunneling microscopy and infrared reflection absorption spectroscopy we have observed that the alpha-Fe2O3(0001) surface exhibits ferryl (Fe=O) groups, which may coexist with domains of the Fe-terminated surface. We therefore fully support ab initio calculations recently reported in the literature [W. Bergmeyer, H. Schweiger, and E. Wimmer, Phys. Rev. B 69, 195409 (2004)]. The close similarity to the results on the (0001) surfaces of Cr2O3 and V2O3 strongly suggests that the M=O termination under certain oxygen pressure conditions is the most stable for the close-packed surfaces of transition metal oxides with the corundum structure.
authors.affiliation: Departmernt of Chemical Physics, Fritz-Haber Institute of the Max-Planck Society, Faradayweg 4-6, 14195 Berlin, Germany.
authors.forename: C
authors.initials: C
authors.lastname: Lemire
authors.forename: S
authors.initials: S
authors.lastname: Bertarione
authors.forename: A
authors.initials: A
authors.lastname: Zecchina
authors.forename: D
authors.initials: D
authors.lastname: Scarano
authors.forename: A
authors.initials: A
authors.lastname: Chaka
authors.forename: S
authors.initials: S
authors.lastname: Shaikhutdinov
authors.forename: H-J
authors.initials: HJ
authors.lastname: Freund