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
, Bertarione, S.
, Zechina, A.
, Scarano, D.
, Chaka, A.
and Freund, H.
Ferryl (Fe=O) Termination of the Hematite a-Fe2O3(0001) Surface, Physical Review Letters
(Accessed June 3, 2023)