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Ferryl (Fe=O) termination of the hematite α-Fe2O3(0001) surface

MPS-Authors
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Lemire,  Céline
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Shaikhutdinov,  Shamil
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Freund,  Hans-Joachim
Chemical Physics, Fritz Haber Institute, Max Planck Society;

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Citation

Lemire, C., Bertarione, S., Zecchina, A., Scarano, D., Chaka, A., Shaikhutdinov, S., et al. (2005). Ferryl (Fe=O) termination of the hematite α-Fe2O3(0001) surface. Physical Review Letters, 94(16), 166101–1-166101–4. doi:10.1103/PhysRevLett.94.166101.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0011-08E1-7
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.