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Ferryl (Fe=O) Termination of the Hematite a-Fe2O3(0001) Surface



C Lemire, S Bertarione, A Zechina, D Scarano, Anne M. Chaka, H J. Freund


Using scanning tunnelling microscopy and infrared reflection absorption spectroscopy we have observed that the alpha-Fe2O3(0001) surface unexpectedly exhibits ferryl (Fe=O) groups, which may coexist with domains of the Fe-terminated surface. The ab initio calculations fully support the experimental results. The close similarity to the results on the (0001) surfaces of Cr2O3 and V2O3 strongly suggest 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.
Physical Review Letters
94 No 166101


ab initio, ferryl, hematite surfaces, scanning tunnelling microscopy


Lemire, C. , Bertarione, S. , Zechina, A. , Scarano, D. , Chaka, A. and Freund, H. (2005), Ferryl (Fe=O) Termination of the Hematite a-Fe2O3(0001) Surface, Physical Review Letters (Accessed February 23, 2024)
Created February 28, 2005, Updated October 12, 2021